Sugi Predict

Sugi Predict / Compounds / SCHEMBL3786384

SCHEMBL3786384

SCHEMBL3786384

CCc1cc(Cl)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ ALOX15 P16050 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL11826792 0.84 CYP3A4 (0.50) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL358331 0.84 CYP3A4 (0.54) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL29758099 0.84 CYP3A4 (0.54) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL12101731 0.84 ALDH1A1 (0.42) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL3790391 0.83 CYP3A4 (0.48) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL3783306 0.79 SKP2 (0.46) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL775188 0.79 CYP3A4 (0.54) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL1664297 0.78 SLC6A4 (0.55) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL30421071 0.78 SLC6A4 (0.55) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL3782085 0.78 IDO1 (0.44) CYP3A4ALOX15SMN1; SMN2MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947690-A Preparation method of indazole molecular building block and application of building block in drug synthesis 安徽医科大学 2023-04-11 — — CN disclosed
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 — — US disclosed
EP-3447050-B1 PYRIDIN-2(1H)-ONE QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-19 — — EP disclosed
WO-2019173182-A1 PHENYLPYRROLIDINONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-12 — — WO disclosed
US-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 — — US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 — — WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 — — US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 — — US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 — — US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 — — US disclosed
US-4101575-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
US-4060628-A 2-(Alkylhalophenylimino)dithiolanes and ectoparasiticidal composition and method BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 — — US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 — — US disclosed
US-4036850-A FUNGICIDES, HERBICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
US-4012222-A Herbicidal compositions containing dioxolane substituted anilids and method therefor VELSICOL CHEMICAL CORPORATION (US) 1977-03-15 — — US disclosed
US-3946045-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-03-23 — — 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 (4 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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 CYP3A4 915/4885TSHR 2961/4885ALDH1A1 2419/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CYP3A4 915/4885TSHR 2961/4885ALDH1A1 2419/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885ALDH1A1 4339/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 CYP3A4 999/4885TSHR 3136/4885ALDH1A1 3054/4885

“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.