SCHEMBL2157691

SCHEMBL2157691

CC(C)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA14 Q9ULX7 1/20 0.55
LMNA P02545 5/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MCL1 Q07820 1/20 0.42
MAPT P10636 1/20 0.41
NR4A2 P43354 2/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
USP2 O75604 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
Ammonia Solution, Strong SCHEMBL3235802 0.98 CA1 (0.53) CA1CA14LMNAHTTTP53
SCHEMBL21202659 0.83 CA1 (0.51) CA1CA14LMNAHTTTP53
SCHEMBL8359924 0.83 RAPGEF4 (0.47) CA1CA14LMNAHTTTP53
SCHEMBL8362209 0.81 RAB9A (0.44) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL13831247 0.81 NOX1 (0.50) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL14272821 0.79 NR4A2 (0.42) CA1CA14LMNAHTTTP53
SCHEMBL8776014 0.79 CYP3A4 (0.47) CA1CA14LMNAHTTTP53
SCHEMBL14364963 0.79 MEN1 (0.42) CA1CA14LMNAHTTTP53
SCHEMBL25786554 0.79 KMT2A (0.40) GAANR4A2
SCHEMBL14407222 0.79 ADRA2A (0.43) CA1CA14LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348737-B1 HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES BAYER AG (DE) 1993-08-04 EP claimed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 US disclosed
US-20210002287-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. 2021-01-07 US disclosed
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2019-11-14 US disclosed
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2019-07-30 US disclosed
US-20190169193-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds ARRAY BIOPHARMA INC. 2019-06-06 US disclosed
EP-1904435-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO Amgen Inc. (US) 2008-04-02 EP disclosed
US-20060293392-A1 Benzamide derivatives and uses related thereto AMGEN INC. 2006-12-28 US disclosed
WO-2006138508-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. (US) 2006-12-28 WO disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed
US-20040116509-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2004-06-17 US disclosed
US-3982019-A Insecticidal compositions containing trifluoromethyl ureas and method of controlling insects using said compositions VELSICOL CHEMICAL CORPORATION (US) 1976-09-21 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 (10 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 CA1 491/4885CA14 1105/4885LMNA 2817/4885
US-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CA1 662/4885CA14 1344/4885LMNA 4714/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 CA1 491/4885CA14 1105/4885LMNA 2817/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CA1 1003/4885CA14 1950/4885LMNA 4479/4885
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 CA1 491/4885CA14 1105/4885LMNA 2817/4885
US-20190169193-A1 Method of Treatment Using Substituted Imidazo[1,2b]Pyridazine Compounds COL2A1, COL1A1, IFNAR1 CA1 2065/4885CA14 3845/4885LMNA 1099/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 CA1 2732/4885CA14 4474/4885LMNA 2889/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS CA1 4177/4885CA14 1987/4885LMNA 2343/4885
US-20060293392-A1 Benzamide derivatives and uses related thereto GPR119, GLP1R, UGT2B7 CA1 4170/4885CA14 3626/4885LMNA 2209/4885
US-20210002287-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 CA1 2706/4885CA14 4109/4885LMNA 3016/4885

“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.