SCHEMBL13801449

SCHEMBL13801449

O=C(c1cccc(-c2cc3ccccc3[nH]2)c1)C1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
VCP P55072 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ITK Q08881 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 4/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
APAF1 O14727 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL22887391 0.78 CASP3 (0.68) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL426115 0.77 NPC1 (0.62) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL7030607 0.76 FLT3 (0.57) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL423127 0.75 FLT3 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27613442 0.74 NPC1 (0.53) KDRNPC1RAB9AVCPMEN1
SCHEMBL22887217 0.74 NPC1 (0.53) KDRNPC1RAB9AVCPMEN1
SCHEMBL13814181 0.74 CASP3 (0.54) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL6438025 0.74 NPC1 (0.53) KDRNPC1RAB9AVCPMEN1
SCHEMBL8304969 0.72 NPC1 (0.80) KDRNPC1RAB9AVCPMEN1
SCHEMBL430192 0.72 NPC1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.