SCHEMBL1481909

SCHEMBL1481909

CCn1cc(-c2ccc(C(=O)O)cc2)nc1/C=C/c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIRT5 Q9NXA8 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
P2RY14 Q15391 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL1481912 1.00 POLB (0.46) POLBMEN1KMT2ASIRT5NPC1
SCHEMBL1481300 0.88 TLR8 (0.48) POLBMEN1KMT2ASIRT5NPC1
SCHEMBL1481095 0.88 NPC1 (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL1481299 0.88 TLR8 (0.48) POLBMEN1KMT2ASIRT5NPC1
SCHEMBL1481098 0.88 NPC1 (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL1481444 0.86 NPC1 (0.43) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL1481442 0.86 NPC1 (0.43) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6532903 0.83 ALDH1A1 (0.44) SIRT5NPC1RAB9AALDH1A1KDM4E
SCHEMBL6532905 0.83 ALDH1A1 (0.44) SIRT5NPC1RAB9AALDH1A1KDM4E
SCHEMBL1480499 0.83 ALDH1A1 (0.44) SIRT5NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ POLB 4328/4885MEN1 3467/4885KMT2A 1996/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ POLB 4328/4885MEN1 3467/4885KMT2A 1996/4885

“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.