SCHEMBL10176204

SCHEMBL10176204

C=C(c1ccc(OC)cc1)c1cccc(-c2cc3ccccc3[nH]2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
RAB9A P51151 5/20 0.63
NPC1 O15118 5/20 0.63
MAPT P10636 5/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PDGFRB P09619 3/20 0.43
PDGFRA P16234 3/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMO Q99835 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TUBB4A P04350 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
SCHEMBL10176207 0.91 RAB9A (0.57) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL10176210 0.90 RAB9A (0.56) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL10176208 0.87 SMO (0.50) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL10176214 0.86 NPC1 (0.53) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL427120 0.85 NPC1 (0.63) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL10176211 0.83 SMO (0.57) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL10176195 0.80 NPC1 (0.49) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL13814197 0.79 NPC1 (0.54) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL430192 0.79 NPC1 (0.57) KDM4ERAB9ANPC1MAPTCASP3
SCHEMBL29737278 0.79 RAB9A (0.71) KDM4ERAB9ANPC1MAPTCASP3

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 KDM4E 3306/4885RAB9A 2378/4885NPC1 3214/4885
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 KDM4E 3541/4885RAB9A 2018/4885NPC1 1555/4885

“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.