SCHEMBL4288375

SCHEMBL4288375

CCC(=O)Cn1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HMOX2 P30519 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.48
CYP19A1 P11511 2/20 0.47
ESR1 P03372 1/20 0.47
PLA2G4A P47712 1/20 0.47

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
Hydrochloric Acid SCHEMBL410457 0.98 ALDH1A1 (0.60) ALDH1A1HMOX2EGLN3CYP19A1ESR1
SCHEMBL7241523 0.87 ALDH1A1 (0.72) ALDH1A1HMOX2EGLN3CYP19A1
SCHEMBL10784675 0.85 ALDH1A1 (0.58) ALDH1A1HMOX2EGLN3CYP19A1PLA2G4A
SCHEMBL10780856 0.82 ALDH1A1 (0.55) ALDH1A1HMOX2EGLN3PLA2G4A
SCHEMBL10780853 0.81 EGLN3 (0.65) ALDH1A1EGLN3
SCHEMBL10391423 0.80 TBXA2R (0.55) ALDH1A1PLA2G4A
SCHEMBL18985082 0.80 ALDH1A1 (0.62) ALDH1A1HMOX2EGLN3CYP19A1
SCHEMBL10576973 0.79 HMOX2 (0.60) ALDH1A1HMOX2EGLN3CYP19A1
SCHEMBL412255 0.79
SCHEMBL10785171 0.79 TBXA2R (0.57) ALDH1A1PLA2G4A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347199-B1 SHAMPOO COMPOSITION UNILEVER PLC (GB) 1992-09-09 EP claimed
EP-0347199-A2 Shampoo composition UNILEVER PLC (GB) 1989-12-20 EP claimed
US-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING Changzhou University (CN) 2023-11-30 US disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
EP-0862433-B1 TOPICAL FOAMABLE PHARMACEUTICAL COMPOSITION FOR TREATING SKIN DISEASES INDUCED BY OVAL PITYROSPORUM PF MEDICAMENT (FR) 2002-09-11 EP disclosed
EP-0347199-B1 SHAMPOO COMPOSITION UNILEVER PLC (GB) 1992-09-09 EP disclosed
EP-0347199-A2 Shampoo composition UNILEVER PLC (GB) 1989-12-20 EP disclosed
EP-0347199-A2 Shampoo composition UNILEVER PLC (GB) 1989-12-20 EP disclosed
EP-0224076-A1 Azolyl ether ketones and alcohols BAYER AG (DE) 1987-06-03 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 (6 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 ALDH1A1 452/4885HMOX2 3/4885EGLN3 346/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALDH1A1 373/4885HMOX2 55/4885EGLN3 364/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 394/4885HMOX2 2/4885EGLN3 241/4885
US-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING PTMS, CBS, CHAMP1 ALDH1A1 1808/4885HMOX2 3275/4885EGLN3 3194/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 394/4885HMOX2 2/4885EGLN3 241/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 438/4885HMOX2 2/4885EGLN3 348/4885

“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.