SCHEMBL3389540

SCHEMBL3389540

CCC(Br)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
DRD3 P35462 1/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
GLS O94925 1/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5544410 0.84 DRD3 (0.46) ALDH1A1DRD3KMT2AMAPT
SCHEMBL5963204 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTCASP3GLS
SCHEMBL31425560 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTCASP3GLS
SCHEMBL9342981 0.81 ALDH1A1 (0.52) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL31758137 0.81 ALDH1A1 (0.52) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL2517320 0.81 ALDH1A1 (0.50) ALDH1A1DRD3KMT2AMAPTCASP3
SCHEMBL31461466 0.80 CHRM2 (0.50) KMT2A
SCHEMBL19974506 0.80 CHRM2 (0.50) KMT2A
SCHEMBL14928796 0.79 ALDH1A1 (0.49) ALDH1A1DRD3KMT2ACASP3CA12
SCHEMBL14393320 0.79 ALDH1A1 (0.49) ALDH1A1DRD3KMT2ACASP3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187083-B1 INK COMPOSITION COMPRISING SELECTED INK VEHICLE, AMIDE VISCOSITY MODIFIER, CONDUCTIVE SULFONATE SALT ALL HAVING MELTING POINTS WITHIN SPECIFIED RANGE, COLORANT, OPTIONAL ANTIOXIDANT AND ULTRAVIOLET ABSORBER XEROX CORPORATION 2001-02-13 US claimed
EP-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
CN-102918031-A Radiolabeled compounds and methods thereof GE HEALTHCARE LTD 2013-02-06 CN disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-6432946-B1 PSYCHOLOGICAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2002-08-13 US disclosed
US-6187083-B1 INK COMPOSITION COMPRISING SELECTED INK VEHICLE, AMIDE VISCOSITY MODIFIER, CONDUCTIVE SULFONATE SALT ALL HAVING MELTING POINTS WITHIN SPECIFIED RANGE, COLORANT, OPTIONAL ANTIOXIDANT AND ULTRAVIOLET ABSORBER XEROX CORPORATION 2001-02-13 US disclosed
EP-1027347-A2 3-AMINOALKYLAMINO-2H-1,4-BENZOXA(THIA-)ZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUROGEN CORPORATION (US) 2000-08-16 EP disclosed
US-6100255-A BIND SELECTIVELY WITH HIGH AFFINITY TO THE DOPAMINE D4 RECEPTOR SUBTYPE; USE IN TREATING VARIOUS NEUROPSYCHOLOGICAL DISORDERS, INCLUDING ALZHEIMER'S DISEASE, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR TARDIVE DYSKINESIA NEUROGEN CORPORATION (US) 2000-08-08 US disclosed
WO-1999023092-A2 3-AMINOALKYLAMINO-2H-1,4-BENZOXA(THIA-)ZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUROGEN CORPORATION (US) 1999-05-14 WO disclosed
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
EP-0278621-B1 SUBSTITUTED AMINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-06-12 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 (1 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A ALDH1A1 702/4885DRD3 102/4885KMT2A 2998/4885

“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.