SCHEMBL10176199

SCHEMBL10176199

C=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SCN5A Q14524 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 4/20 0.47
PIK3CA P42336 4/20 0.47
SMO Q99835 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
BTK Q06187 2/20 0.43
ITK Q08881 2/20 0.43
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL13801598 0.84 NPC1 (0.70) KDRNPC1RAB9ASCN5ALMNA
SCHEMBL19889078 0.78 BTK (0.65) KDRNPC1RAB9ASCN5AEGFR
SCHEMBL13814197 0.77 NPC1 (0.54) KDRNPC1RAB9AEGFRPIK3CA
SCHEMBL14303521 0.76 NPC1 (0.61) KDRNPC1RAB9ASCN5ASMN1; SMN2
SCHEMBL6925698 0.75 NPC1 (0.56) KDRNPC1RAB9ASCN5ALMNA
SCHEMBL8304969 0.74 NPC1 (0.80) KDRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL10176200 0.74 NPC1 (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL10176198 0.74 NPC1 (0.50) KDRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL19073217 0.72 EGFR (0.43) NPC1RAB9ASCN5ALMNASMN1; SMN2
SCHEMBL10226225 0.71 NPC1 (0.54) KDRNPC1RAB9AEGFRPIK3CA

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 KDR 4377/4885NPC1 3214/4885RAB9A 2378/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 KDR 4063/4885NPC1 1555/4885RAB9A 2018/4885

“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.