SCHEMBL1108962

SCHEMBL1108962

CCCSc1ccc2[nH]c(C)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37

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
SCHEMBL23867565 0.88 CYP1A2 (0.57) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL7257708 0.83 KMT2A (0.44) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL29488190 0.80 KMT2A (0.44) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL9485267 0.78 LMNA (0.64) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL8502483 0.78 MAPT (0.45) KMT2AHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL9391341 0.76 CYP1A2 (0.46) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL7258031 0.75 LMNA (0.69) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL2194514 0.74 CYP1A2 (0.48) KMT2AHPGDSMN1; SMN2CYP1A2MEN1
SCHEMBL26039239 0.74 ALDH1A1 (0.41) KMT2AHPGDSMN1; SMN2MEN1ALDH1A1
Albendazole SCHEMBL7969988 0.74 LMNA (0.83) KMT2AHPGDSMN1; SMN2CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 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-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 KMT2A 3893/4885HPGD 2335/4885SMN1; SMN2 4516/4885

“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.