SCHEMBL7895236

SCHEMBL7895236

NCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 1.00
CYP1A2 P05177 3/20 0.65
SIRT2 Q8IXJ6 2/20 0.62
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
IDO1 P14902 1/20 0.60
TSHR P16473 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
SCN5A Q14524 2/20 0.58
SCN10A Q9Y5Y9 2/20 0.58
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ERCC1 P07992 1/20 0.55

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
SCHEMBL14735989 0.86 NOTUM (0.76) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL507782 0.84 NOTUM (0.72) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL8286815 0.82 NOTUM (0.70) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL5356293 0.82 NOTUM (1.00) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL2094888 0.82 NOTUM (0.70) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL18040200 0.82 NOTUM (0.70) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL12434474 0.82 NOTUM (0.70) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL11922366 0.82 NOTUM (0.70) NOTUMTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL201607 0.82 NOTUM (0.70) NOTUMCYP1A2SIRT2CYP2D6CYP2C19
SCHEMBL201986 0.82 SIRT2 (0.71) NOTUMCYP1A2SIRT2CYP2D6CYP2C19

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-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 NOTUM 1748/4885CYP1A2 951/4885SIRT2 2607/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885CYP1A2 2434/4885SIRT2 2104/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885CYP1A2 1415/4885SIRT2 1816/4885

“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.