SCHEMBL1106593

SCHEMBL1106593

[C-]#[N+]c1ccc(C(N)=S)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
PRKCI P41743 1/20 0.33
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ASH1L Q9NR48 1/20 0.32

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
SCHEMBL2206586 0.79 HTT (0.62) HTTSMN1; SMN2PRKCIMAPTPKM
SCHEMBL1106586 0.76 PARP10 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1106580 0.73 KDM1A (0.50) HDAC1HDAC2MAPTHSD17B10
SCHEMBL11790422 0.70 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL469734 0.69 LMNA (0.55) HTTSMN1; SMN2MAPTPKMHSD17B10
SCHEMBL14018619 0.69 HTT (0.58) HTTSMN1; SMN2MAPTPKMHSD17B10
SCHEMBL8141436 0.68 TSHR (0.60) SMN1; SMN2
SCHEMBL10503095 0.67 HTT (0.50) HTTSMN1; SMN2PRKCIMAPTPKM
SCHEMBL353975 0.67 HTT (0.50) HTTSMN1; SMN2
SCHEMBL22130014 0.67 HTT (0.50) HTTSMN1; SMN2

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-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HTT 3109/4885SMN1; SMN2 4168/4885HDAC3 345/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HTT 3109/4885SMN1; SMN2 4168/4885HDAC3 345/4885

“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.