SCHEMBL10176197

SCHEMBL10176197

C=C(Oc1cc2ccccc2[nH]1)c1cccc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 3/20 0.43
SENP8 Q96LD8 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP6 Q9GZR1 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
VCP P55072 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
F2 P00734 2/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL13814385 0.84 NPC1 (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13814197 0.77 NPC1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176214 0.76 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL22887391 0.75 CASP3 (0.68) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8304969 0.74 NPC1 (0.80) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176207 0.74 RAB9A (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176200 0.74 NPC1 (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176198 0.74 NPC1 (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176210 0.73 RAB9A (0.56) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176204 0.73 KDM4E (0.63) NPC1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 US disclosed
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 NPC1 3214/4885RAB9A 2378/4885MEN1 1042/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 NPC1 1555/4885RAB9A 2018/4885MEN1 1250/4885

“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.