SCHEMBL3851963

SCHEMBL3851963

COc1ccc(CS)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
APLNR P35414 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ADRA1A P35348 1/20 0.42
POLB P06746 1/20 0.41
CPS1 P31327 2/20 0.40
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL8132364 0.82 POLB (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL29828865 0.80 TAAR1 (0.65) MAOBCYP1A2TAAR1ADRA1A
SCHEMBL3677716 0.80 KDM1A (0.44) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL3321047 0.80 KDM1A (0.44) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL489792 0.80 ALDH1A1 (0.47) IDO1KDM1AMAOAMAOBAPLNR
SCHEMBL9921244 0.80 TAAR1 (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL7670936 0.80 POLB (0.45) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL2425644 0.80 TAAR1 (0.50) IDO1KDM1AMAOAMAOBAPLNR
SCHEMBL2290549 0.80 KDM4E (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL13907989 0.80 KDM1A (0.44) KDM1AMAOAMAOBAPLNRCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579342-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA (SE) 2009-08-25 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US disclosed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US disclosed
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 WO 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 (2 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-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 IDO1 148/4885KDM1A 954/4885MAOA 803/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 IDO1 148/4885KDM1A 954/4885MAOA 803/4885

“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.