SCHEMBL3841768

SCHEMBL3841768

Clc1ccnc2ccc3sccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL27684003 0.77 CCR1 (0.41) HTR2CKDM4EMAPTALDH1A1HPGD
SCHEMBL9533808 0.71 KDM4E (0.38) HTR2CKDM4EMAPTALDH1A1HPGD
SCHEMBL29792714 0.70 HTR2C (0.45) HTR2CKDM4EMAPTALDH1A1HPGD
SCHEMBL760085 0.70 HTR2C (0.45) HTR2CKDM4EMAPTALDH1A1HPGD
SCHEMBL2919086 0.67 DYRK1A (0.45) HTR2CMAPTALDH1A1TDP1DYRK1A
SCHEMBL6004107 0.67 NR4A2 (0.34) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL104668 0.66 AXL (0.53) HTR2CMAPTHTTDYRK1AMEN1
SCHEMBL29365402 0.66 AXL (0.53) HTR2CMAPTHTTDYRK1AMEN1
SCHEMBL3835965 0.66 NPC1 (0.45) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL3281683 0.66 HTR2C (0.36) HTR2CKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP disclosed
EP-1833830-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-19 EP disclosed
US-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-27 US disclosed
WO-2006066955-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter NQO2, RECQL, XDH HTR2C 601/4885KDM4E 3139/4885MAPT 2863/4885

“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.