SCHEMBL9866115

SCHEMBL9866115

Cc1ccc(CSCCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP2A6 P11509 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
RECQL P46063 1/20 0.51
ALDH1A1 P00352 5/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 2/20 0.48
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KIF11 P52732 3/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 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
Hydrochloric Acid SCHEMBL11119737 0.86 CYP2C19 (0.48) CYP1A2RECQLIDO1CYP2D6CYP2C19
SCHEMBL915196 0.81 IDO1 (0.54) CYP1A2CYP2A6TAAR1RECQLALDH1A1
SCHEMBL13870175 0.80 RECQL (0.53) RECQLALDH1A1GAAIDO1LMNA
SCHEMBL9214204 0.78 CYP2D6 (0.55) CYP1A2TAAR1ALDH1A1IDO1LMNA
SCHEMBL424945 0.78 RECQL (0.51) RECQLALDH1A1GAAIDO1LMNA
SCHEMBL11553154 0.78 MEN1 (0.55) CYP1A2TAAR1ALDH1A1IDO1LMNA
SCHEMBL3053222 0.78 ALDH1A1 (0.53) RECQLALDH1A1GAAIDO1LMNA
SCHEMBL672238 0.78 TAAR1 (0.57) TAAR1ALDH1A1IDO1KIF11CYP3A4
SCHEMBL7871845 0.78 AGXT (0.50) CYP1A2CYP2A6TAAR1RECQLALDH1A1
SCHEMBL10947999 0.78 PRMT6 (0.57) CYP1A2TAAR1ALDH1A1CYP2D6CYP2C19

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-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US disclosed
US-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS GE HEALTHCARE LIMITED (GB) 2013-06-13 US disclosed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 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-20130149249-A1 IMAGING TUBERCULOSIS WITH PYRAZINAMIDE CONTRAST AGENTS CTPS1, CTPS2, MPI CYP1A2 1428/4885CYP2A6 3485/4885TAAR1 1100/4885

“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.