SCHEMBL3544057

SCHEMBL3544057

[CH2]C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
TDO2 P48775 2/20 0.46
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
NFE2L2 Q16236 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL2122133 0.92 LMNA (0.43) IDO1TDO2NFE2L2CYP19A1LMNA
SCHEMBL21994503 0.79 IDO1 (0.44) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL28433227 0.77 IDO1 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL1005314 0.77 IDO1 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL416903 0.77 IDO1 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL14737295 0.77 IDO1 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL502663 0.77 IDO1 (0.42) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL4067909 0.77 IDO1 (0.48) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL2489611 0.73 IDO1 (0.50) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL16798426 0.73 IDO1 (0.39) IDO1TDO2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP claimed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US claimed
US-5026853-A Sleep and cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-25 US claimed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
CN-102381916-B Synthesis method of beta, beta-diaryl alkene UNIV ZHEJIANG 2014-03-12 CN disclosed
EP-2257534-B1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2013-11-06 EP disclosed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 US disclosed
EP-1776348-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-25 EP disclosed
WO-2006013210-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-02-09 WO disclosed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP 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-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 IDO1 2336/4885TDO2 2722/4885HDAC3 663/4885

“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.