SCHEMBL15087313

SCHEMBL15087313

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ GPR174 Q9BXC1 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ PSIP1 O75475 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ KLK1 P06870 1/20 0.31
▸ KLK6 Q92876 1/20 0.31

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
SCHEMBL17052892 0.77 ESR1 (0.40) LOXL2GPR174RAPGEF4HRH3CSNK2A1
SCHEMBL15087203 0.76 MAPT (0.47) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL10143041 0.75 KDM5A (0.34) LOXL2GPR174MEN1KMT2AGAA
SCHEMBL15020369 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ARAPGEF4ALDH1A1
SCHEMBL28311204 0.75 LOXL2 (0.39) LOXL2GAAPKM
SCHEMBL1660192 0.74 MAPT (0.43) SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2002633 0.72 MAPT (0.43) SMN1; SMN2ALDH1A1
SCHEMBL15176963 0.72 NOX1 (0.49) SMN1; SMN2EGFRMEN1KMT2AGAA
SCHEMBL13322082 0.71 HPGD (0.53) LOXL2GPR174SMN1; SMN2EGFRMEN1
SCHEMBL31527731 0.70 MAPT (0.41) SMN1; SMN2MEN1KMT2AALDH1A1

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 LOXL2 1181/4885GPR174 4738/4885SMN1; SMN2 1977/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 LOXL2 1181/4885GPR174 4738/4885SMN1; SMN2 1977/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 LOXL2 1181/4885GPR174 4738/4885SMN1; SMN2 1977/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 LOXL2 1181/4885GPR174 4738/4885SMN1; SMN2 1977/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 LOXL2 1181/4885GPR174 4738/4885SMN1; SMN2 1977/4885

“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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