SCHEMBL15087203

SCHEMBL15087203

Cc1cc(N)ccc1N[SH](=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ SIGMAR1 Q99720 3/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CASP1 P29466 4/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.36
▸ RECQL P46063 2/20 0.36

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
SCHEMBL18780754 0.84 ALDH1A1 (0.46) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15020369 0.79 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL15176963 0.76 NOX1 (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15087313 0.76 LOXL2 (0.33) CYP1A2CYP2C19ALDH1A1CYP3A4MEN1
SCHEMBL31527687 0.74 NOX1 (0.47) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL31527731 0.74 MAPT (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3110533 0.74 ALDH1A1 (0.54) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL31621883 0.74 ALDH1A1 (0.54) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16782417 0.74 ALDH1A1 (0.54) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15087318 0.73 PRSS1 (0.55) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 — — US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 — — US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 — — US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 — — US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 — — US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 — — US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 — — US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 — — US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 — — 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 (5 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MAPT 4514/4885CYP1A2 701/4885CYP2C9 356/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MAPT 4514/4885CYP1A2 701/4885CYP2C9 356/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MAPT 4514/4885CYP1A2 701/4885CYP2C9 356/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MAPT 4514/4885CYP1A2 701/4885CYP2C9 356/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 MAPT 4514/4885CYP1A2 701/4885CYP2C9 356/4885

“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.

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