SCHEMBL1033015

SCHEMBL1033015

Cc1cc(F)cc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.41
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
P2RX7 Q99572 2/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADRB1 P08588 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
GRIN2D O15399 1/20 0.32

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
SCHEMBL2032766 0.82 ALDH1A1 (0.58) CD44CYP3A4ALDH1A1TP53TSHR
SCHEMBL1951099 0.82 CYP3A4 (0.58) CD44CYP3A4ALDH1A1TP53TSHR
Bromide SCHEMBL10949048 0.79 ALDH1A1 (0.55) CD44CYP3A4ALDH1A1TP53TSHR
SCHEMBL1392591 0.75 CYP3A4 (0.65) CD44CYP3A4ALDH1A1TP53TSHR
SCHEMBL899027 0.75 CA1 (0.52) CYP3A4ALDH1A1TDP1CA1CA2
SCHEMBL1830038 0.75 RAPGEF4 (0.34) CD44CYP3A4P2RX7MAPTPTGS1
SCHEMBL11140035 0.75 ALDH1A1 (0.43) CYP3A4ALDH1A1TP53TSHRTDP1
SCHEMBL698002 0.75 KDM4E (0.45) CD44CYP3A4ALDH1A1TP53TSHR
SCHEMBL5973280 0.75 ALDH1A1 (0.43) CD44CYP3A4ALDH1A1TP53TSHR
SCHEMBL4704877 0.75 ALDH1A1 (0.43) CD44CYP3A4ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727713-B Use of fluorine substituted 2-aminothiazole-5-aromatic formamide 湖南华纳大药厂股份有限公司 2024-09-24 CN disclosed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
EP-3822274-B1 SYNTHETIC INTERMEDIATES USEFUL FOR PREPARING SUBSTITUTED AMINOPURINE COMPOUNDS SIGNAL PHARM LLC (US) 2024-03-06 EP disclosed
CN-114921391-B 4, 5-cyclic 1,2, 4-triazolones 拜耳股份有限公司 2024-01-02 CN disclosed
US-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 US disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
CN-100412053-C Process for preparation of phenylacetic acid derivatives NOVARTIS AG (CH) 2008-08-20 CN disclosed
CN-1377337-A Process for preparation of phenylacetic acid derivatives NOVARTIS AG (CH) 2002-10-30 CN disclosed
EP-1216226-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES Novartis AG (CH) 2002-06-26 EP disclosed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 WO disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 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-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 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 (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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A CD44 4130/4885CYP3A4 4002/4885ALDH1A1 1207/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP CD44 2465/4885CYP3A4 1895/4885ALDH1A1 332/4885
US-20080249318-A1 Process for phenylacetic acid derivatives ALDH7A1, CYP4F11, CYP2A6 CD44 2542/4885CYP3A4 32/4885ALDH1A1 111/4885
US-11787797-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 CD44 4673/4885CYP3A4 99/4885ALDH1A1 274/4885

“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.