SCHEMBL5120680

SCHEMBL5120680

Nc1csc(-c2ccccc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
TDO2 P48775 1/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 4/20 0.37
CYP3A4 P08684 3/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL1067241 0.78 ALDH1A1 (0.42) ALDH1A1TDO2MAPTRAB9ACYP3A4
SCHEMBL27900520 0.77 ALDH1A1 (0.43) ALDH1A1TDO2SMN1; SMN2MEN1KMT2A
SCHEMBL5114023 0.77 MAPT (0.47) ALDH1A1TDO2MAPTRAB9ACYP3A4
SCHEMBL12263425 0.75 ALDH1A1 (0.39) ALDH1A1TDO2MAPTRAB9ACYP3A4
SCHEMBL5127248 0.75 ALDH1A1 (0.44) ALDH1A1TDO2MAPTRAB9ACYP3A4
SCHEMBL22299324 0.70 ALDH1A1 (0.39) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9489536 0.68 NPC1 (0.47) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10567172 0.67 ALDH1A1 (0.46) ALDH1A1TDO2MAPTCYP3A4CYP1A2
SCHEMBL544880 0.67 TDO2 (0.42) ALDH1A1TDO2MAPTRAB9ACYP3A4
SCHEMBL1983048 0.66 BRD4 (0.33) ALDH1A1MAPTRAB9ACYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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 (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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR ALDH1A1 1266/4885TDO2 2021/4885MAPT 3063/4885

“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.