Sugi Predict

Sugi Predict / Compounds / SCHEMBL3781446

SCHEMBL3781446

SCHEMBL3781446

CC(C)c1cc(Cl)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ TP53 P04637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL3783593 0.82 CYP3A4 (0.52) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7998914 0.79 ALDH1A1 (0.45) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL5108679 0.79 HTR2A (0.46) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL12197660 0.78 GABRA1 (0.52) CYP3A4ALDH1A1TDP1TP53HTT
SCHEMBL19720132 0.78 ALDH1A1 (0.43) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7789585 0.78 CYP3A4 (0.43) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL2545010 0.77 ALDH1A1 (0.52) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7995851 0.77 TSHR (0.42) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL22368239 0.77 ALDH1A1 (0.42) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL423288 0.76 TP53 (0.50) CYP3A4TSHRALDH1A1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — US disclosed
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 — — US disclosed
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 — — US disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 — — US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 — — US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 — — EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 — — US disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 — — CN disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 — — US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 — — EP disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 — — CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 — — EP disclosed
US-4060628-A 2-(Alkylhalophenylimino)dithiolanes and ectoparasiticidal composition and method BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 — — 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 (7 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CYP3A4 2933/4885TSHR 773/4885ALDH1A1 4118/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 CYP3A4 990/4885TSHR 2886/4885ALDH1A1 2800/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CYP3A4 915/4885TSHR 2961/4885ALDH1A1 2419/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 CYP3A4 2279/4885TSHR 2606/4885ALDH1A1 136/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 CYP3A4 687/4885TSHR 2898/4885ALDH1A1 4693/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C CYP3A4 1939/4885TSHR 278/4885ALDH1A1 2268/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 CYP3A4 990/4885TSHR 2886/4885ALDH1A1 2800/4885

“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.