SCHEMBL396571

SCHEMBL396571

Cc1cc(OC(=S)N(C)C)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CHRNA3 P32297 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
NR1I2 O75469 1/20 0.39
HTR2B P41595 1/20 0.39
CYP51A1 Q16850 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCEH1 Q6PIU2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1765588 0.81 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL19665349 0.79 NCEH1 (0.37) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL21189796 0.79 SLC5A2 (0.38) RAB9ANPC1LMNAMAPTCYP1A2
SCHEMBL4931670 0.78 RAB9A (0.35) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL4072743 0.77 NCEH1 (0.66) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL8794474 0.77 RAB9A (0.36) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL30772982 0.76 LMNA (0.53) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL3898652 0.76 LMNA (0.53) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL17130610 0.75 NCEH1 (0.36) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL3611178 0.75 ALDH1A1 (0.42) RAB9ASMN1; SMN2LMNAMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed
EP-2077998-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-07-15 EP disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030466-A1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-03-13 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 (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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 RAB9A 3386/4885NPC1 4272/4885SMN1; SMN2 4540/4885

“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.