SCHEMBL3701804

SCHEMBL3701804

Nc1cc(C2CC2)ccc1I

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 1/20 0.37
BACE1 P56817 1/20 0.36
ESR2 Q92731 3/20 0.33
QDPR P09417 2/20 0.33
KCNH2 Q12809 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
POLB P06746 1/20 0.31
ACMSD Q8TDX5 2/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL24073469 0.83 HDAC1 (0.41) HDAC1HDAC2HDAC3BACE1ESR2
SCHEMBL843886 0.79 HDAC1 (0.44) HDAC1HDAC2HDAC3BACE1ESR2
Cyanide SCHEMBL27811810 0.78 HDAC1 (0.38) HDAC1HDAC2HDAC3BACE1ESR2
SCHEMBL6940702 0.76 HDAC2 (0.38) HDAC1HDAC2HDAC3BACE1ESR2
SCHEMBL20870431 0.75 HDAC1 (0.41) HDAC1HDAC2HDAC3BACE1ESR2
SCHEMBL16956102 0.74 ESR2 (0.33) ESR2QDPRPOLBACMSDESR1
SCHEMBL1920801 0.74 ESR2 (0.33) ESR2QDPRKCNH2HRH3POLB
SCHEMBL29326180 0.74 QDPR (0.50) HDAC2ESR2QDPRACMSDESR1
SCHEMBL2699251 0.74 HDAC1 (0.37) HDAC1HDAC2HDAC3BACE1ESR2
SCHEMBL3713659 0.74 TDP1 (0.48) HDAC1HDAC2HDAC3BACE1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
CN-102498097-A Indole derivatives or pharmaceutically acceptable salts thereof KISSEI PHARMACEUTICAL 2012-06-13 CN disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R HDAC1 566/4885HDAC2 507/4885HDAC3 423/4885

“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.