SCHEMBL7713574

SCHEMBL7713574

O=C(Nc1ccccc1)Nc1cccnc1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.80
NPC1 O15118 7/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
HTT P42858 4/20 0.80
MAPT P10636 4/20 0.80
ALDH1A1 P00352 2/20 0.80
LMNA P02545 2/20 0.80
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
GAA P10253 2/20 0.61
ADORA3 P0DMS8 1/20 0.57
PIM1 P11309 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
FLT3 P36888 1/20 0.57
PIM3 Q86V86 1/20 0.57
AURKB Q96GD4 1/20 0.57
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL13235178 0.89 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL1721544 0.81 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL16566586 0.81 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL4106734 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL27092749 0.80 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL1463313 0.79 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL30117873 0.79 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL3096372 0.79 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL7736903 0.79 NPC1 (0.63) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL21810514 0.78 SMN1; SMN2 (0.81) RAB9ANPC1SMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105360285-A Fresh keeping agent and method for preventing picked wax apple fruits from becoming flocculent and soft UNIV JIMEI 2016-03-02 CN disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-RE37664-E1 Use of derivatives of N-phenl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESSELLSCHAFT (DE) 2002-04-16 US disclosed
US-5171352-A Applying phenylsulfonylurea compound before harvesting bolls BASF AKTIENGESELLSCHAFT (DE) 1992-12-15 US disclosed
US-5087282-A Sulfonylura agents for defoliating cotton BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US disclosed
US-5045105-A Use of derivatives of n-phenyl-3,4,5,6-tetrahydrophthalimide for the desiccation and abscission of plant organs BASF AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
US-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAB9A 1325/4885NPC1 1569/4885SMN1; SMN2 3974/4885

“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.