SCHEMBL7838780

SCHEMBL7838780

CC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
CTDSP1 Q9GZU7 1/20 0.73
MAPT P10636 3/20 0.72
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP3A4 P08684 2/20 0.72
MEN1 O00255 1/20 0.72
ALOX15 P16050 1/20 0.72
TSHR P16473 1/20 0.72
MAPK1 P28482 1/20 0.72
KMT2A Q03164 1/20 0.72
HSD17B10 Q99714 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
APAF1 O14727 1/20 0.69
RECQL P46063 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
KCNT1 Q5JUK3 1/20 0.61

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
SCHEMBL7677339 0.91 POLB (0.69) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7677004 0.90 POLB (0.67) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7678136 0.90 POLB (0.67) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7677381 0.90 POLB (0.67) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL6892616 0.89 KMT2A (0.83) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7671347 0.88 KMT2A (0.68) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7678311 0.88 POLB (0.65) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7669404 0.88 POLB (0.65) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7676920 0.88 POLB (0.70) POLBCTDSP1MAPTKDM4EALDH1A1
SCHEMBL7673231 0.87 POLB (0.64) POLBCTDSP1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 US disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 US disclosed
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 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 (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-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 POLB 2281/4885CTDSP1 1585/4885MAPT 2015/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 POLB 4798/4885CTDSP1 4096/4885MAPT 2019/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 POLB 4798/4885CTDSP1 4096/4885MAPT 2019/4885

“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.