SCHEMBL16447394

SCHEMBL16447394

CCc1nc2ccc(Br)cn2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.43
NPC1 O15118 4/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 3/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR6 P50406 1/20 0.38
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL16447554 0.85 RAB9A (0.45) EPHB3NPC1GAARAB9AGFER
SCHEMBL23099496 0.84 CYP2C9 (0.38) NPC1GAARAB9AMEN1KMT2A
SCHEMBL18642162 0.84 RAB9A (0.52) NPC1GAARAB9AKMT2ARXFP1
SCHEMBL23099627 0.83 NPC1 (0.50) EPHB3NPC1GAARAB9AMEN1
SCHEMBL23092108 0.82 CYP2C9 (0.47) NPC1GAARAB9AMEN1KMT2A
SCHEMBL14770310 0.82 ALDH1A1 (0.53) GAAALDH1A1POLBCYP3A4CYP2C9
SCHEMBL23099611 0.82 CYP2C9 (0.38) EPHB3NPC1GAARAB9AMEN1
SCHEMBL20181390 0.80 SLC22A12 (0.39) EPHB3NPC1GAARAB9AMEN1
SCHEMBL954716 0.80 EPHB3 (0.57) EPHB3NPC1GAARAB9AGFER
SCHEMBL23099499 0.80 MTNR1B (0.44) NPC1GAARAB9AKDM4EMAPT

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-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 WO 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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 EPHB3 4392/4885NPC1 402/4885GAA 949/4885

“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.