SCHEMBL2643684

SCHEMBL2643684

NCCc1ccc(S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.56
HTR2A P28223 4/20 0.56
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 2/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL224548 0.85 TAAR1 (0.72) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL331040 0.82 GFER (0.47) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Iodide SCHEMBL29101247 0.82 TAAR1 (0.68) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL3668004 0.82 BLM (0.74) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL3168355 0.82 BLM (0.74) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL7528298 0.78 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL2644005 0.78 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL15966496 0.78 TAAR1 (0.56) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL143553 0.77 GFER (0.77) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL22164132 0.77 HTR2A (0.44) HTR2AKDM4EALDH1A1ADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4130163-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE Toyo Ink SC Holdings Co., Ltd. (JP) 2023-02-08 EP disclosed
EP-3048190-B1 SULFONAMIDE BASED POLYMERS FOR COPPER ELECTROPLATING ROHM & HAAS ELECT MAT (US) 2018-06-27 EP disclosed
CN-103703071-B Coupling agent for rubber/carbon black and rubber composition for tire containing the same SHIKOKU CHEMICALS CORP. (JP) 2015-12-09 CN disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
CN-103703071-A Coupling agent for rubber/carbon black and rubber composition for tire containing the same SHIKOKU CHEM 2014-04-02 CN disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20120046724-A1 IMPLANTABLE CARDIAC STIMULATION DRUG RELEASING ELECTRODE ST. JUDE MEDICAL AB (SE) 2012-02-23 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US 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
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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 (4 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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 TAAR1 2411/4885HTR2A 2693/4885CYP2A6 310/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TAAR1 4223/4885HTR2A 2997/4885CYP2A6 1344/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TAAR1 4214/4885HTR2A 3031/4885CYP2A6 1372/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TAAR1 4223/4885HTR2A 2997/4885CYP2A6 1344/4885

“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.