SCHEMBL2008319

SCHEMBL2008319

O=[C]c1ccc2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
CCR1 P32246 1/20 0.41

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
SCHEMBL1994814 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL17980669 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL27619885 0.78 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL18024103 0.74 GRM5 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL20333487 0.73 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL276715 0.72 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL28304525 0.72 CCR1 (0.55) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8193 0.72 CCR1 (0.55) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL29354893 0.72 CCR1 (0.55) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2008467 0.72 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669370-B2 Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-03-11 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-20120252809-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-04 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (7 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ALDH1A1 2252/4885LMNA 2860/4885MEN1 3660/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE ALDH1A1 592/4885LMNA 1929/4885MEN1 3124/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 ALDH1A1 3275/4885LMNA 660/4885MEN1 3829/4885
US-20120252809-A1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CTSL, CTSF, CTSV ALDH1A1 829/4885LMNA 473/4885MEN1 4435/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 ALDH1A1 1146/4885LMNA 2779/4885MEN1 3062/4885
US-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 ALDH1A1 1088/4885LMNA 4839/4885MEN1 2589/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885LMNA 2770/4885MEN1 4065/4885

“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.