SCHEMBL12835100

SCHEMBL12835100

CC(=S)SCc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 4/20 0.59
IDO1 P14902 3/20 0.59
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
PNMT P11086 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL29034446 0.84 HTT (0.59) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL12835039 0.82 IDO1 (0.68) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL2667321 0.82 TAAR1 (0.58) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL15457417 0.82 IDO1 (0.68) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL11585398 0.82 SMN1; SMN2 (0.53) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL13067159 0.75 SMN1; SMN2 (0.50) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL13007579 0.74 IDO1 (1.00) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL27592486 0.74 LMNA (0.68) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL515041 0.74 CYP1A2 (0.53) TAAR1SMN1; SMN2HTTIDO1LMNA
SCHEMBL1149876 0.73 CYP1A2 (0.57) TAAR1SMN1; SMN2HTTIDO1LMNA

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-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-8372860-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2013-02-12 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US 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 (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-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL TAAR1 4096/4885SMN1; SMN2 1436/4885HTT 453/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF TAAR1 2709/4885SMN1; SMN2 4645/4885HTT 1444/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF TAAR1 4409/4885SMN1; SMN2 4588/4885HTT 3571/4885

“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.