Sugi Predict

Sugi Predict / Compounds / SCHEMBL1020165

SCHEMBL1020165

SCHEMBL1020165

FC(F)(F)c1cccc(CBr)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ CCR1 P32246 1/20 0.40
▸ MBOAT4 Q96T53 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ IDH1 O75874 7/20 0.38
▸ IDH2 P48735 3/20 0.38
▸ MAOB P27338 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA3 P34903 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
SCHEMBL14834464 0.85 P2RX7 (0.39) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL27983844 0.84 P2RX7 (0.41) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL536702 0.81 CCR1 (0.35) CCR1MBOAT4
SCHEMBL129240 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL7049376 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL24442229 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL317402 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL317403 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL30156698 0.79 P2RX7 (0.47) P2RX7CCR1MBOAT4NOTUMADRB1
SCHEMBL10228848 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054670-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 — — WO disclosed
US-10202391-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-02-12 — — US disclosed
CN-105732649-B Gonadotropin releasing hormone receptor antagonists, process for their preparation and pharmaceutical compositions containing them 株式会社蒂奥姆生物 2019-02-05 — — CN disclosed
US-20180237443-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-08-23 — — US disclosed
US-9902731-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-02-27 — — US disclosed
US-20170204100-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-07-20 — — US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 — — US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 — — US disclosed
US-8268755-B2 Oxime ether derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2012-09-18 — — US disclosed
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 — — EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 — — EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 — — EP disclosed
US-20100273836-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2010-10-28 — — US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 — — US disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 — — EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 — — EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 — — US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 — — WO 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-10202391-B2 Chemical compounds TP53, RB1, ABCB1 P2RX7 1358/4885CCR1 2023/4885MBOAT4 3732/4885
US-20170204100-A1 Chemical Compounds TP53, RB1, ABCB1 P2RX7 1358/4885CCR1 2023/4885MBOAT4 3732/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B P2RX7 632/4885CCR1 3890/4885MBOAT4 4092/4885
US-20180237443-A1 Chemical Compounds TP53, RB1, ABCB1 P2RX7 1358/4885CCR1 2023/4885MBOAT4 3732/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 P2RX7 4209/4885CCR1 4690/4885MBOAT4 3212/4885
US-20100273836-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CYP51A1, CYP21A2, ERG28 P2RX7 3757/4885CCR1 3719/4885MBOAT4 2140/4885

“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.