SCHEMBL13235136

SCHEMBL13235136

O=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
PYGL P06737 4/20 0.51
P2RX1 P51575 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 3/20 0.46
CNR1 P21554 2/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
EPHX2 P34913 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL13235117 0.91 RAB9A (0.54) RAB9ANPC1PYGLKMT2AMEN1
SCHEMBL11553729 0.80 RAB9A (0.63) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL11560722 0.79 PYGL (0.56) RAB9ANPC1PYGLKMT2AMEN1
SCHEMBL6774259 0.78 RAB9A (0.61) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL11556584 0.76 NPC1 (0.54) RAB9ANPC1PYGLP2RX1KMT2A
SCHEMBL11560710 0.76 RAB9A (0.46) RAB9ANPC1PYGLKMT2AMEN1
SCHEMBL4970824 0.75 P2RX1 (0.54) RAB9ANPC1P2RX1KMT2AMEN1
SCHEMBL11558369 0.75 NPC1 (0.57) RAB9ANPC1PYGLKMT2AMEN1
SCHEMBL446526 0.75 KDR (0.60) RAB9ANPC1P2RX1KMT2AMEN1
SCHEMBL5414532 0.75 P2RX1 (0.64) RAB9ANPC1P2RX1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1569/4885PYGL 1083/4885

“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.