SCHEMBL12844858

SCHEMBL12844858

O=C1Nc2ccccc2SC2C=CC=CC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 2/20 0.47
GLA P06280 1/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL14043658 0.79 MAOA (0.38) HSD17B10TDP1POLBSMN1; SMN2MAPT
SCHEMBL4096667 0.71 ALOX5 (0.37) KDM4EPOLBTHRBHPGDRECQL
SCHEMBL4325934 0.70 HSD17B10 (0.53) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL11034753 0.70 HSD17B10 (0.61) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL28768922 0.70 HSD17B10 (0.53) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL24125191 0.70 CREBBP (0.57) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL2745305 0.70 CREBBP (0.57) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL9024189 0.70 HSD17B10 (0.53) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL31542005 0.70 HSD17B10 (0.53) HSD17B10KDM4ETDP1POLBALOX15
SCHEMBL8368558 0.70 HSD17B10 (0.49) HSD17B10KDM4ETDP1POLBALOX15

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-7902355-B2 Condensation of 10H-dibenzo-[b,f][1,4]-thiazepin-11-one with a piperazine derivative in the presence of a titanium alkoxide catalyst; Titanium catalyst easier to handle, have low toxicity, not chlorinated, much less harmful for the environment UNION QUIMICO-FARMACEUTICA S.A. (ES) 2011-03-08 US disclosed
US-7687622-B2 Process for preparing quetiapine fumarate TEVA PHARMACEUTICAL INDUSTRIES, LTD (IL) 2010-03-30 US disclosed
WO-2008121415-A2 IMPROVED PROCESS FOR PREPARING QUETIAPINE FUMARATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-09 WO disclosed
US-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative UNION QUIMICO-FARMACEUTICA S.A. (ES) 2008-07-17 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-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative SDHB, SDHA, CYP2F1 HSD17B10 135/4885KDM4E 683/4885TDP1 2985/4885

“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.