SCHEMBL1700638

SCHEMBL1700638

NC(=O)c1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.72
HTR2C P28335 2/20 0.69
HTR2B P41595 2/20 0.69
DRD2 P14416 1/20 0.69
ADRA1D P25100 1/20 0.69
HTR2A P28223 1/20 0.69
HTR7 P34969 1/20 0.69
ADRA1A P35348 1/20 0.69
ADRA1B P35368 1/20 0.69
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SRD5A1 P18405 1/20 0.53
CYP1A2 P05177 3/20 0.51
ADRA2A P08913 1/20 0.51

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
SCHEMBL29773950 1.00 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL27488292 0.93 SRD5A2 (0.62) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL26187114 0.92 SRD5A2 (0.61) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29773995 0.91 NPC1 (0.64) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL10968736 0.85 SRD5A2 (0.77) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL26187120 0.85 MAOA (0.58) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL503767 0.84 SRD5A2 (1.00) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29460235 0.84 SRD5A2 (1.00) SRD5A2HTR2CHTR2BDRD2ADRA1D
Benzamide SCHEMBL28327355 0.82 MAPT (0.70) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL407340 0.82 MAPT (0.82) SRD5A2HTR2CHTR2BDRD2ADRA1D

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO claimed
EP-2566334-B1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2018-04-18 EP disclosed
EP-2566335-B1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2016-06-29 EP disclosed
CN-103025165-B From the controlled release of macromolecular conjugates 普罗林科斯有限责任公司 2016-06-08 CN disclosed
US-8946405-B2 Controlled release from solid supports PROLYNX LLC (US) 2015-02-03 US disclosed
US-8754190-B2 Controlled release from macromolecular conjugates PROLYNX LLC (US) 2014-06-17 US disclosed
US-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 US disclosed
US-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2013-05-16 US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 US disclosed
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC 2013-05-09 US disclosed
EP-2571496-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS Prolynx Llc (US) 2013-03-27 EP disclosed
EP-2566335-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES Prolynx Llc (US) 2013-03-13 EP disclosed
EP-2566334-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS Prolynx Llc (US) 2013-03-13 EP disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140393-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140392-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2011-11-10 WO disclosed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN disclosed
WO-1993014062-A1 ANTHELMINTIC β-KETOAMIDES THE UPJOHN COMPANY (US) 1993-07-22 WO 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 (3 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-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS SLC43A1, ABCB1, NAPA SRD5A2 2698/4885HTR2C 4450/4885HTR2B 2711/4885
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 SRD5A2 4043/4885HTR2C 4623/4885HTR2B 2770/4885
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES ABCB1, ABCB11, GUSB SRD5A2 2710/4885HTR2C 2741/4885HTR2B 1269/4885

“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.