SCHEMBL5035455

SCHEMBL5035455

CNCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 6/20 0.47
HTT P42858 4/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
KCNN4 O15554 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL28853302 0.90 ESR1 (0.52) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL10156588 0.82 CYP2C19 (0.50) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL3444934 0.82 KCNN4 (0.44) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL5142176 0.80 CYP2C19 (0.56) MEN1KMT2AHTTLMNAALDH1A1
Hydrochloric Acid SCHEMBL9413960 0.78 CYP2C19 (0.54) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5807600 0.78 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL13539406 0.78 NPSR1 (0.67) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL28325123 0.78 NPSR1 (0.43) MEN1KMT2ASMN1; SMN2HTTLMNA
Hydrochloric Acid SCHEMBL9413928 0.77 CYP2C19 (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL7826027 0.77 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
WO-2010007800-A1 NOVEL URACIL COMPOUND HAVING AMIDE STRUCTURE AND SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-01-21 WO disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4061862-A ANTIBIOTIC BRISTOL-MYERS COMPANY (US) 1977-12-06 US 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 MEN1 431/4885KMT2A 1975/4885SMN1; SMN2 1399/4885

“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.