SCHEMBL3069271

SCHEMBL3069271

Fc1c(Cl)cccc1CCl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.43
AKR1B1 P15121 1/20 0.41
IDO1 P14902 4/20 0.39
TAAR1 Q96RJ0 3/20 0.39
MPO P05164 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
CFD P00746 1/20 0.36
P2RX7 Q99572 2/20 0.35
GAA P10253 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 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
SCHEMBL25292045 0.85 TSHR (0.38) PNMTIDO1TAAR1HTTTSHR
SCHEMBL4411424 0.81 PNMT (0.43) PNMTAKR1B1IDO1TAAR1MPO
SCHEMBL559225 0.81 PNMT (0.67) PNMTAKR1B1IDO1TAAR1MPO
SCHEMBL17552713 0.81 PNMT (0.43) PNMTAKR1B1IDO1TAAR1MPO
SCHEMBL3278229 0.79 AKR1B1 (0.43) PNMTAKR1B1IDO1TAAR1MPO
Bromide SCHEMBL3241148 0.79 PNMT (0.41) PNMTAKR1B1IDO1TAAR1MPO
SCHEMBL148553 0.79 PNMT (0.41) PNMTAKR1B1IDO1TAAR1MPO
SCHEMBL8349402 0.79 AKR1B1 (0.43) PNMTAKR1B1IDO1TAAR1MPO
Hydrochloric Acid SCHEMBL20589595 0.79 PNMT (0.64) PNMTAKR1B1IDO1TAAR1MPO
Bromide SCHEMBL1045488 0.79 PNMT (0.41) PNMTAKR1B1IDO1TAAR1MPO

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
US-20180265454-A1 Method for Producing 4-Oxoquinoline Compound JAPAN TOBACCO INC. (JP) 2018-09-20 US disclosed
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 US disclosed
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 US disclosed
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 US disclosed
EP-1992607-B9 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-07-01 EP disclosed
CN-101437801-A Process for preparing 4-oxoquinoline compounds JAPAN TOBACCO INC (JP) 2009-05-20 CN disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
EP-1992607-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND Japan Tobacco, Inc. (JP) 2008-11-19 EP disclosed
CN-101273046-A Indol-3-yl-carbonyl azaspiro derivatives as vasopressin receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-24 CN disclosed
EP-1931680-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039438-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives F. HOFFMAN-LA ROCHE AG (CH) 2007-03-29 US disclosed
US-4331821-A ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 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 (6 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 PNMT 2004/4885AKR1B1 1764/4885IDO1 2403/4885
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 PNMT 852/4885AKR1B1 1725/4885IDO1 541/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 PNMT 2004/4885AKR1B1 1764/4885IDO1 2403/4885
US-20180265454-A1 Method for Producing 4-Oxoquinoline Compound IMPDH1, IMPDH2, CDK20 PNMT 852/4885AKR1B1 1725/4885IDO1 541/4885
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives AVPR1A, AVPR2, AVPR1B PNMT 1593/4885AKR1B1 234/4885IDO1 58/4885
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 PNMT 852/4885AKR1B1 1725/4885IDO1 541/4885

“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.