SCHEMBL3728253

SCHEMBL3728253

NC(=S)NNC(=O)Cc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
MAPK8 P45983 1/20 0.51
KCNJ5 P48544 2/20 0.49
KCNJ3 P48549 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
NSD2 O96028 1/20 0.48
MAPT P10636 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3725760 0.84 GAA (0.48) PKMNPC1RAB9AKMT2AALDH1A1
SCHEMBL11822889 0.82 KMT2A (0.53) MAPK8RAB9AKMT2AALDH1A1MAPT
SCHEMBL11830961 0.82 ALDH1A1 (0.53) MAPK8NPC1RAB9AKMT2AALDH1A1
SCHEMBL21981000 0.81 RAB9A (0.53) MAPK8KCNJ5KCNJ3NPC1RAB9A
SCHEMBL5458594 0.81 GLS (0.49) PKMMAPK8KCNJ5KCNJ3NPC1
SCHEMBL3725312 0.81 P2RX7 (0.57) NPC1RAB9AKMT2AALDH1A1ERCC1
SCHEMBL3729261 0.81 MAPK8 (0.51) MAPK8NPC1RAB9AKMT2AGAA
SCHEMBL9527449 0.80 NPC1 (0.55) PKMMAPK8KCNJ5KCNJ3NPC1
SCHEMBL3728259 0.78 ATM (0.65) MAPK8KMT2AALDH1A1MAPTMEN1
SCHEMBL8636686 0.78 MAPK8 (0.67) MAPK8KCNJ5KCNJ3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-3992396-A TRANQUILIZERS, HYPNOTICS SANDOZ, INC. (US) 1976-11-16 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 PKM 1419/4885MAPK8 3384/4885KCNJ5 2479/4885

“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.