SCHEMBL1104834

SCHEMBL1104834

Cc1ccc2c(c1)nc(-c1ccccc1)n2C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.65
ACSS2 Q9NR19 1/20 0.60
ATM Q13315 1/20 0.59
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
PDE10A Q9Y233 1/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
PKM P14618 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 3/20 0.53
NPC1 O15118 2/20 0.53
ALOX15 P16050 2/20 0.53
GAA P10253 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10030014 0.97 NLRP3 (0.61) NLRP3ACSS2ATMHDAC1HDAC8
SCHEMBL1104822 0.86 ATM (0.55) NLRP3ACSS2ATMHDAC1HDAC8
SCHEMBL1104828 0.86 HDAC1 (0.64) NLRP3ATMHDAC1HDAC8HDAC6
SCHEMBL10249140 0.85 MEN1 (0.66) NLRP3ACSS2ATMHDAC1HDAC8
SCHEMBL24295110 0.84 ATM (0.60) NLRP3ATMHDAC1HDAC8HDAC6
SCHEMBL337983 0.83 ALDH1A1 (0.58) NLRP3ACSS2ATMHDAC1HDAC8
SCHEMBL2097109 0.83 HDAC1 (0.58) NLRP3ACSS2ATMHDAC1HDAC8
SCHEMBL3158636 0.83 ALDH1A1 (0.67) NLRP3ATMHDAC1HDAC8HDAC6
SCHEMBL517706 0.82 MEN1 (0.77) ATMMEN1KMT2AKDM4EALDH1A1
SCHEMBL17149164 0.81 HDAC1 (0.49) NLRP3ACSS2ATMHDAC1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 227 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4542394-A MULTILAYER-DIAZONIUM LAYER AND COUPLER LAYER CONTAINING BENZIMIDAZOLE COMPOUND RICOH COMPANY, LTD. (JP) 1985-09-17 US claimed
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-11189809-B2 Organic EL device and display unit SONY CORPORATION (JP) 2021-11-30 US disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-10411212-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-09-10 US disclosed
EP-2174933-B1 BENZIMIDAZOLE DERIVATIVES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO (JP) 2019-04-03 EP disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-17 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-20090009066-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090009066-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 US disclosed
US-20080292904-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080292904-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080258613-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-23 US disclosed
US-20080258613-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-23 US disclosed
US-20080233387-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2008-09-25 US disclosed
US-20080233387-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2008-09-25 US disclosed
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090008607-A1 NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME CCNL2, ARL1, CCNA1 NLRP3 1985/4885ACSS2 611/4885ATM 954/4885
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX NLRP3 434/4885ACSS2 2052/4885ATM 2002/4885
US-10411212-B2 Organic electroluminescent element L1CAM, NES, EML4 NLRP3 2715/4885ACSS2 1337/4885ATM 2727/4885
US-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM NLRP3 335/4885ACSS2 2212/4885ATM 1785/4885
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 NLRP3 385/4885ACSS2 1697/4885ATM 4545/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM NLRP3 335/4885ACSS2 2212/4885ATM 1785/4885
US-11189809-B2 Organic EL device and display unit L1CAM, ESR1, EPHA8 NLRP3 921/4885ACSS2 4727/4885ATM 4114/4885
US-10026907-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX NLRP3 434/4885ACSS2 2052/4885ATM 2002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.