SCHEMBL3780100

SCHEMBL3780100

Clc1ccc2[nH]cc(Br)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.58
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
HTR2A P28223 4/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
NR4A2 P43354 1/20 0.47
IDO1 P14902 5/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46

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
SCHEMBL16136470 0.83 GPR84 (0.58) GPR84F7F3HTR2ATRPM8
Ethoxycarbonyl Group SCHEMBL27448995 0.81 GPR84 (0.44) GPR84F7F3HTR2ATRPM8
SCHEMBL28207416 0.78 GPR84 (0.62) GPR84HTR2ATRPM8NR4A2IDO1
SCHEMBL38663621 0.78 GPR84 (0.62) GPR84F7F3HTR2ATRPM8
SCHEMBL5434525 0.77 GPR84 (0.51) GPR84F7F3HTR2ATRPM8
SCHEMBL20846141 0.77 MEN1 (0.48) GPR84F7F3HTR2ATRPM8
SCHEMBL17439076 0.75 F7 (0.59) GPR84F7F3HTR2ATRPM8
SCHEMBL5197534 0.75 HTR2C (0.53) HTR2ASLC6A4
SCHEMBL14149493 0.75 HTR1D (0.51) HTR2ANR4A2IDO1TUBB4ATUBB
SCHEMBL17982265 0.75 GPR84 (0.58) GPR84F7F3HTR2ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761813-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2017-09-12 US disclosed
US-9761813-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2017-09-12 US disclosed
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2015-07-30 US disclosed
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME DOOSAN CORPORATION (KR) 2015-07-30 US disclosed
CN-104736537-A Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORP 2015-06-24 CN disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
WO-2014025114-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2014-02-13 WO disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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 (3 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 GPR84 1967/4885F7 2819/4885F3 1132/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 GPR84 1967/4885F7 2819/4885F3 1132/4885
US-20150214490-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDO1, IDO2, KYNU GPR84 2418/4885F7 3944/4885F3 2534/4885

“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.