SCHEMBL97098

SCHEMBL97098

[CH2]c1ccc(N(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
TSHR P16473 6/20 0.69
ALOX15 P16050 3/20 0.69
HSD17B10 Q99714 3/20 0.69
MAPK1 P28482 5/20 0.52
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SLC2A1 P11166 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2A13 Q16696 1/20 0.46
HPGD P15428 1/20 0.46
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
HBB P68871 1/20 0.44

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
SCHEMBL5540540 0.92 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL65261 0.83 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL28076670 0.80 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL2058932 0.80 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL2443748 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Ammonia Solution, Strong SCHEMBL27868785 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL379125 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL379126 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL7080476 0.76 ALDH1A1 (0.85) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL7076748 0.76 ALDH1A1 (0.85) ALDH1A1TSHRALOX15HSD17B10MAPK1

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 1354 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189360-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA INC. (US) 2024-06-13 US claimed
US-20240116939-A1 CHIRAL OR RACEMIC PYRIMIDINE-FUSED DIAZEPINONE DERIVATIVES, PREPARATION METHOD, AND APPLICATION THEREOF SUN YAT-SEN UNIVERSITY (CN) 2024-04-11 US claimed
CN-115368363-B Chiral or racemized pyrimidodiazepinone compound and preparation method and application thereof 中山大学 2024-02-20 CN claimed
CN-117164477-A Synthesis method of 1, n-dinitrile compound 华南理工大学 2023-12-05 CN claimed
EP-3838901-B1 COMPOUND FOR TREATMENT OF RABIES AND METHOD FOR TREATMENT OF RABIES IRIMAJIRI THERAPEUTICS INC (JP) 2023-09-27 EP claimed
US-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents UNIVERSITY OF ROCHESTER (US) 2023-04-25 US claimed
CN-114315689-B Disulfanylphthalimide compound, preparation method and application thereof 四川大学 2023-04-07 CN claimed
WO-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 WO claimed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 CN claimed
CN-115368363-A Chiral or racemic pyrimido-diazacycloheptanone compound and preparation method and application thereof 中山大学 2022-11-22 CN claimed
EP-0125827-A1 Polyether bisbiguanides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-21 EP claimed
EP-0125092-A1 Bisbiguanide compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0125093-A1 Diaz(ep)ine bis(N-amidinoamidine) derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0125091-A2 4,4'-Alkylenedipiperidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0023097-B1 DE-ARYLMETHYLATION OF N-MONO- OR N-DIARYLMETHYL-BETA-LACTAMS; NOVEL AZETIZINONES HAVING ANTI-BACTERIAL ACTIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-01 EP claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed
US-4298741-A DETHIAPENICILLIN ANTIBIOTICS MERCK & CO., INC. (US) 1981-11-03 US claimed
US-4265891-A PROSTAGLANDINS, BRONCHODILATORS, PLATELET AGGREGATION INHIBITORS GLAXO GROUP LIMITED (GB) 1981-05-05 US claimed
EP-0023097-A1 De-arylmethylation of N-mono- or N-diarylmethyl-beta-lactams; novel azetizinones having anti-bacterial activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-28 EP claimed
US-4232030-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11634400-B2 Micheliolide derivatives, methods for their preparation and their use as anticancer and antiinflammatory agents TNF, C9, CYP51A1 ALDH1A1 1456/4885TSHR 4837/4885ALOX15 5/4885
US-20240116939-A1 CHIRAL OR RACEMIC PYRIMIDINE-FUSED DIAZEPINONE DERIVATIVES, PREPARATION METHOD, AND APPLICATION THEREOF GRK1, GRIA1, NR3C1 ALDH1A1 2293/4885TSHR 2302/4885ALOX15 1732/4885
US-20240189360-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS CXCL12, ITGB3, ITGB7 ALDH1A1 1083/4885TSHR 2351/4885ALOX15 3215/4885

“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.