SCHEMBL3128100

SCHEMBL3128100

Cc1cc(CN)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 9/20 0.47
PNMT P11086 3/20 0.45
TAAR1 Q96RJ0 2/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CYP2A6 P11509 1/20 0.39
CD44 P16070 1/20 0.39

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
SCHEMBL3840980 0.83 TAAR1 (0.67) PNMTTAAR1SMN1; SMN2CYP2A6
SCHEMBL29487211 0.82 CYP3A4 (0.52) CSNK2A1PNMTTAAR1CSNK2A2CSNK2B
SCHEMBL109221 0.82 CYP3A4 (0.52) CSNK2A1PNMTTAAR1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL4725966 0.80 CSNK2A1 (0.53) CSNK2A1PNMTTAAR1CSNK2A2CSNK2B
SCHEMBL15832064 0.79 ST14 (0.58) CSNK2A1KMT2ASMN1; SMN2
SCHEMBL1291043 0.79 TTR (0.40) PNMTTAAR1KMT2ASMN1; SMN2S1PR1
SCHEMBL12643 0.79 TRPA1 (0.43) KMT2ASMN1; SMN2S1PR1CYP2A6
SCHEMBL29406921 0.78 ALDH1A1 (0.46) CSNK2A1PNMTLOXL2CYP2A6
SCHEMBL39710 0.78 ALDH1A1 (0.46) CSNK2A1PNMTLOXL2CYP2A6
SCHEMBL112200 0.78 PNMT (0.67) CSNK2A1PNMTTAAR1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-20230286978-A1 INDAZOLE DERIVATIVES AS INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2023-09-14 US disclosed
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US disclosed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0211540-A1 Intermediates and process for antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-02-25 EP disclosed
CN-86105247-A Antibiotic intermediate and preparation method 1987-02-04 CN disclosed
CN-86104783-A The method for preparing beta-Lactam antibiotics 1987-02-04 CN disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP 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-20230286978-A1 INDAZOLE DERIVATIVES AS INHIBITORS OF SARM1 SARM1, SMN1; SMN2, AIFM1 CSNK2A1 837/4885PNMT 3495/4885TAAR1 4426/4885
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 CSNK2A1 1303/4885PNMT 3474/4885TAAR1 4448/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 CSNK2A1 1227/4885PNMT 3180/4885TAAR1 4460/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 CSNK2A1 1200/4885PNMT 3270/4885TAAR1 4400/4885
US-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 CSNK2A1 1125/4885PNMT 1930/4885TAAR1 3969/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 CSNK2A1 788/4885PNMT 2987/4885TAAR1 4467/4885
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 CSNK2A1 508/4885PNMT 614/4885TAAR1 1401/4885

“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.