SCHEMBL759085

SCHEMBL759085

O=C(Nc1ccccc1)Nc1cc(Br)cnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
LMNA P02545 7/20 0.53
HTT P42858 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 7/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
GRIK1 P39086 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL13235175 0.89 RAB9A (0.62) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL16926299 0.83 NPC1 (0.56) MAOAMAOBRAB9ANPC1KMT2A
SCHEMBL14797878 0.80 GPR35 (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5511635 0.79 ALK (0.45) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL1472005 0.78 HSPD1 (0.55) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL7713574 0.76 RAB9A (0.80) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL1933647 0.76 AURKB (0.61) MAOAMAOBRAB9ANPC1KMT2A
SCHEMBL856469 0.75 PTK2 (0.41) HTTALDH1A1KDM4E
SCHEMBL2509493 0.74 NPC1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1CASP3
SCHEMBL31054236 0.73 MAOA (0.55) MAOAMAOBRAB9ANPC1KMT2A

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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US 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-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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 (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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR MAOA 3877/4885MAOB 3127/4885RAB9A 1325/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAOA 1121/4885MAOB 800/4885RAB9A 740/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAOA 1121/4885MAOB 800/4885RAB9A 740/4885

“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.