SCHEMBL883518

SCHEMBL883518

CNc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.51
ALDH1A1 P00352 2/20 0.49
ADRA2A P08913 1/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNA7 P36544 1/20 0.48
POLB P06746 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1768902 0.84 ALDH1A1 (0.54) MCL1ALDH1A1TSHRPOLBMAPT
SCHEMBL22928132 0.82 ALDH1A1 (0.41) MCL1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL15714285 0.81 KIF11 (0.50) ALDH1A1GAATSHRMAPTCYP1A2
SCHEMBL1133023 0.80 MCL1 (0.51) MCL1ALDH1A1ADRA2ALMNASMN1; SMN2
SCHEMBL11055193 0.80 MCL1 (0.54) MCL1ALDH1A1ADRA2AGAALMNA
SCHEMBL17671209 0.80 HDAC1 (0.54) MCL1ALDH1A1LMNASMN1; SMN2CHRNA7
SCHEMBL3232155 0.79 LMNA (0.58) MCL1ALDH1A1LMNAPOLBMAPT
Ammonia Solution, Strong SCHEMBL3234716 0.78 LMNA (0.57) MCL1ALDH1A1LMNAPOLBMAPT
SCHEMBL13451876 0.78 CHRNA7 (0.64) ALDH1A1GAALMNATSHRSMN1; SMN2
SCHEMBL9226616 0.78 TAS2R14 (0.50) MCL1GAATSHRMAPTCYP1A2

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
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
EP-2543670-B1 PYRAZOLOPYRIMIDIN-DERIVATIVE FÜR DIE BEHANDLUNG VON HAUTKRANKHEITEN KYOWA HAKKO KIRIN CO LTD (JP) 2016-05-04 EP disclosed
US-20160008362-A1 AGENT FOR PREVENTING AND/OR TREATING OCULAR INFLAMMATORY DISEASE KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-01-14 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
US-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-08-07 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2011108689-A1 PYRAZOLOPYRIMIDINE DERIVATIVE 協和発酵キリン株式会社 (JP) 2011-09-09 WO disclosed
CN-101437804-A Dibenzyl amine compounds and derivatives PFIZER PROD INC (US) 2009-05-20 CN disclosed
CN-101437803-A Dibenzyl amine derivatives as CETP inhibitors PFIZER PROD INC (US) 2009-05-20 CN 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 (9 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MCL1 4850/4885ALDH1A1 3579/4885ADRA2A 733/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 MCL1 4859/4885ALDH1A1 3568/4885ADRA2A 686/4885
US-20140221340-A1 CHEMOKINE RECEPTOR ACTIVITY REGULATOR CXCR2, ACKR3, CCR2 MCL1 1733/4885ALDH1A1 1287/4885ADRA2A 801/4885
US-20160008362-A1 AGENT FOR PREVENTING AND/OR TREATING OCULAR INFLAMMATORY DISEASE NR0B1, NR2E3, NR0B2 MCL1 4688/4885ALDH1A1 1026/4885ADRA2A 409/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MCL1 2309/4885ALDH1A1 1231/4885ADRA2A 429/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 MCL1 4856/4885ALDH1A1 3549/4885ADRA2A 717/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MCL1 4850/4885ALDH1A1 3579/4885ADRA2A 733/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MCL1 4861/4885ALDH1A1 3533/4885ADRA2A 661/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MCL1 4859/4885ALDH1A1 3568/4885ADRA2A 686/4885

“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.