SCHEMBL1700802

SCHEMBL1700802

O=C(Cl)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 0.60
HTR2B P41595 2/20 0.60
DRD2 P14416 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR2A P28223 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
RAB9A P51151 4/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.55
SRD5A1 P18405 1/20 0.53
CYP1A2 P05177 3/20 0.51
ADRA2A P08913 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 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
SCHEMBL24311418 0.93 SRD5A2 (0.62) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL9789474 0.91 RAB9A (0.64) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL10968736 0.85 SRD5A2 (0.77) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29460235 0.84 SRD5A2 (1.00) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL503767 0.84 SRD5A2 (1.00) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL407340 0.82 MAPT (0.82) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL1970132 0.82 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29773950 0.82 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL1700638 0.82 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL28438378 0.81 NPC1 (0.53) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1678561-A Spirobifluorene derivatives, their preparation and use COVEN ORGANIC SEMICONDUCTOR LT (DE) 2005-10-05 CN 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
EP-2758369-B1 NOVEL COMPOUNDS MODULATING THE HEDGEHOG PROTEIN SIGNALING PATHWAY, MARKED FORMS THEREOF, AND APPLICATIONS CENTRE NAT RECH SCIENT (FR) 2016-03-23 EP disclosed
US-8981149-B2 Compounds modulating the hedgehog protein signaling pathway, marked forms thereof, and applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US disclosed
US-8946405-B2 Controlled release from solid supports PROLYNX LLC (US) 2015-02-03 US disclosed
US-20140228441-A1 Novel Compounds Modulating The Hedgehog Protein Signaling Pathway, Marked Forms Thereof, And Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-14 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-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 US disclosed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
CN-101208342-A Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists WYETH CORP (US) 2008-06-25 CN disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
CN-100338022-C Spirobifluorene derivatives, their preparation and uses thereof COVEN ORGANIC SEMICONDUCTOR LT (DE) 2007-09-19 CN disclosed
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO disclosed
CN-1678561-A Spirobifluorene derivatives, their preparation and use COVEN ORGANIC SEMICONDUCTOR LT (DE) 2005-10-05 CN disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP 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-20140228441-A1 Novel Compounds Modulating The Hedgehog Protein Signaling Pathway, Marked Forms Thereof, And Applications SMO, SHH, GLI1 SRD5A2 1811/4885HTR2C 1138/4885HTR2B 752/4885
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 SRD5A2 4043/4885HTR2C 4623/4885HTR2B 2770/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR SRD5A2 247/4885HTR2C 212/4885HTR2B 178/4885

“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.