SCHEMBL631531

SCHEMBL631531

CC(C)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
ALOX15 P16050 2/20 0.50
HPGD P15428 2/20 0.50
GRM5 P41594 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46

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
SCHEMBL10994683 0.85 HPGD (0.49) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL9313156 0.84 TDP1 (0.67) TDP1ALOX15LMNAALDH1A1MEN1
SCHEMBL8474931 0.83 PNMT (0.48) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL10998223 0.83 HPGD (0.51) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL24235222 0.80 HPGD (0.49) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL13934710 0.80 ALDH1A1 (0.55) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL19832126 0.80 ALDH1A1 (0.55) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL16571409 0.80 ADRB2 (0.45) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL1642716 0.79 HPGD (0.47) TDP1ALOX15HPGDGRM5LMNA
SCHEMBL25134499 0.79 MAPK1 (0.54) ALOX15HPGDGRM5LMNAALDH1A1

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 78 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
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 WO disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2023-07-27 US disclosed
US-20230192621-A1 Anti-Cancer/Anti-Fibrosis Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-22 US disclosed
US-20230192621-A1 Anti-Cancer/Anti-Fibrosis Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-22 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
WO-2023055702-A1 MAIN PROTEASE (M PRO) INHIBITORS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-04-06 WO disclosed
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 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-7294633-B2 Oxazolo-and furopyrimidines and their use in medicaments against tumors NOVARTIS AG (CH) 2007-11-13 US disclosed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 WO disclosed
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0491968-B1 Process for the preparation of N-alkyl-fluoroanilines BAYER AG (DE) 1994-10-26 EP disclosed
EP-0355351-B1 Process for the preparation of amines BAYER AG (DE) 1993-11-10 EP disclosed
EP-0491968-A1 Process for the preparation of N-alkyl-fluoroanilines BAYER AG (DE) 1992-07-01 EP disclosed
US-5011996-A Process for the preparation of amines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0355351-A2 Process for the preparation of amines BAYER AG (DE) 1990-02-28 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 (5 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 TDP1 1472/4885ALOX15 1745/4885HPGD 1627/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 TDP1 1140/4885ALOX15 3/4885HPGD 28/4885
US-20230234955-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, TK1 TDP1 28/4885ALOX15 545/4885HPGD 1016/4885
US-20230192621-A1 Anti-Cancer/Anti-Fibrosis Compounds CCL11, MMP1, HDGF TDP1 3745/4885ALOX15 423/4885HPGD 787/4885
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA2 TDP1 1488/4885ALOX15 2456/4885HPGD 817/4885

“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.