SCHEMBL9814514

SCHEMBL9814514

O=Cc1cnn(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.62
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.41
LSS P48449 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.38
ELOVL1 Q9BW60 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
HDAC1 Q13547 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL11696173 0.81 P2RX7 (0.42) P2RX7KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL11691729 0.81 P2RX7 (0.42) P2RX7KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL12442424 0.81 P2RX7 (0.42) P2RX7KDM4EALDH1A1KMT2AMEN1
SCHEMBL11695053 0.81 P2RX7 (0.46) P2RX7KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL5487008 0.81 PKM (0.43) P2RX7KDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL11766757 0.78 HTT (0.47) P2RX7KDM4EALDH1A1KMT2AMEN1
SCHEMBL9814708 0.77 P2RX7 (1.00) P2RX7KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9814705 0.77 P2RX7 (1.00) P2RX7KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL11542619 0.73 KDM4E (0.46) P2RX7KDM4EHPGDHSD17B10LSS
SCHEMBL27786434 0.72 P2RX7 (0.63) P2RX7KDM4EHPGDHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106290206-A A kind of new small molecule cyano group colorimetric and Fluorescence Increasing type probe 新疆大学 2017-01-04 CN claimed
CN-106238096-A A kind of preparation method that catalyst SBA-15@Schiff's base be can be recycled 新疆大学 2016-12-21 CN claimed
US-4017509-A OXIDATION OF CORRESPONDING ALCOHOL MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-04-12 US claimed
JP-52078873-A None JP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111233850-B Naphthol derivative containing benzothiazole amino and heteroaryl and preparation method and application thereof 南开大学 2022-09-23 CN disclosed
US-20220259212-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-18 US disclosed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
EP-0007672-A1 Isocyanoalkenes, process and useful intermediates for their preparation, pharmaceutical and fungicidal preparations containing those isocyanoalkenes and the use of the fungicidal preparations in agriculture GIST-BROCADES N.V. (NL) 1980-02-06 EP disclosed
JP-S5278873-A PREPARATION OF 2-ARYL-1,2,3-TRIAZOLYL-4-ACETIC ACIDS MITSUI TOATSU CHEM INC 1977-07-02 JP disclosed
US-4032503-A TRIAZOLE RING CIBA-GEIGY CORPORATION (US) 1977-06-28 US disclosed
US-4022772-A OPTICAL BRIGHTENING CIBA-GEIGY CORPORATION (US) 1977-05-10 US disclosed
US-4017509-A OXIDATION OF CORRESPONDING ALCOHOL MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-04-12 US disclosed
US-4017509-A OXIDATION OF CORRESPONDING ALCOHOL MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-04-12 US disclosed
US-4017509-A OXIDATION OF CORRESPONDING ALCOHOL MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-04-12 US disclosed
US-3966678-A Maleic anhydride-polyaldimine prepolymers RHONE-POULENC S.A. (FR) 1976-06-29 US disclosed
US-3940388-A OPTICAL BRIGHTENERS SANDOZ LTD., (SANDOZ AG) (CH) 1976-02-24 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 (1 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-20220259212-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 P2RX7 3759/4885KDM4E 1330/4885HPGD 95/4885

“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.