SCHEMBL7602212

SCHEMBL7602212

CNC(=O)N1Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.61
▸ NAMPT P43490 12/20 0.59
▸ TAS1R3 Q7RTX0 6/20 0.59
▸ TAS1R1 Q7RTX1 6/20 0.59
▸ TAS1R2 Q8TE23 6/20 0.59
▸ CNR2 P34972 1/20 0.51

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
SCHEMBL5521225 0.87 RAB9A (0.67) NOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL15029231 0.82 TRAP1 (0.49) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5662918 0.80 NOTUM (0.58) NOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL12942525 0.80 NAMPT (0.52) NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL14959570 0.79 NAMPT (0.55) NAMPT
SCHEMBL31414516 0.79 ABHD6 (0.52) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL25871025 0.79 NAMPT (0.62) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL26257474 0.79 NAMPT (0.67) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL17169484 0.79 NOTUM (0.55) NOTUMNAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL29824272 0.78 DPP9 (0.56) NAMPTTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087486-A Substituted bicyclic and tricyclic ureas and amides, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2022-09-20 — — CN disclosed
US-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-13 — — US disclosed
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE NATIONAL INSTITUTES OF HEALTH 2020-10-08 — — US disclosed
US-9611271-B2 C20′ urea derivatives of vinca alkaloids SCRIPPS RESEARCH INSTITUTE (US) 2017-04-04 — — US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 — — US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 — — US disclosed
US-20150291610-A1 C20' Urea Derivatives of Vinca Alkaloids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 — — US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 — — 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 (5 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-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NOTUM 2598/4885NAMPT 1/4885TAS1R3 4597/4885
US-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface TUBA1C, TUBB2A, TUBA1A NOTUM 2451/4885NAMPT 3573/4885TAS1R3 4283/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A NOTUM 2548/4885NAMPT 3614/4885TAS1R3 4284/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NOTUM 2598/4885NAMPT 1/4885TAS1R3 4597/4885
US-20150291610-A1 C20' Urea Derivatives of Vinca Alkaloids UTP18, SNRPA1, SNRPA NOTUM 2370/4885NAMPT 925/4885TAS1R3 3113/4885

“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.

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