SCHEMBL19742865

SCHEMBL19742865

O=S(=O)(c1ccccc1)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.68
CYP19A1 P11511 7/20 0.68
CYP11B2 P19099 6/20 0.68
CYP1A2 P05177 1/20 0.68
POLB P06746 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
MAPT P10636 1/20 0.68
TBXAS1 P24557 1/20 0.68
QPCT Q16769 1/20 0.68
CYP4Z1 Q86W10 1/20 0.68
QPCTL Q9NXS2 1/20 0.68
CYP17A1 P05093 1/20 0.65
CYP2A6 P11509 1/20 0.57
CYP2B6 P20813 1/20 0.57

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
SCHEMBL28148737 0.89 CYP11B1 (0.60) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL28148752 0.83 CYP11B1 (0.54) CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6
SCHEMBL21500640 0.83 CYP11B1 (0.55) CYP11B1CYP19A1CYP11B2TBXAS1CYP2A6
SCHEMBL28377018 0.83 CYP19A1 (0.61) CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6
SCHEMBL22399266 0.82 CYP11B1 (0.51) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL21500662 0.82 NAMPT (0.49) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL22063900 0.82 CYP11B1 (1.00) CYP11B1CYP19A1CYP11B2CYP1A2POLB
Benzylimidazole SCHEMBL414 0.82 CYP11B1 (1.00) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL28149990 0.82 POLB (0.54) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL164101 0.81 CYP11B1 (0.47) CYP11B1CYP19A1CYP11B2CYP1A2POLB

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
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US disclosed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US disclosed
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN disclosed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN 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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CYP11B1 703/4885CYP19A1 2052/4885CYP11B2 611/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CYP11B1 455/4885CYP19A1 905/4885CYP11B2 427/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CYP11B1 455/4885CYP19A1 905/4885CYP11B2 427/4885

“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.