SCHEMBL1696803

SCHEMBL1696803

CCc1cccc(C(=N)N)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.69
▸ PRSS2 P07478 4/20 0.69
▸ PRSS3 P35030 4/20 0.69
▸ LOXL2 Q9Y4K0 1/20 0.69
▸ C1S P09871 1/20 0.57
▸ F10 P00742 1/20 0.56
▸ F2 P00734 7/20 0.53
▸ PLG P00747 1/20 0.52
▸ NOS1 P29475 1/20 0.50

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
SCHEMBL28278911 0.85 PRSS1 (0.65) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL28277477 0.82 PRSS1 (0.61) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL24358796 0.82 PRSS1 (0.71) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL4078620 0.82 LOXL2 (1.00) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL8542393 0.82 PRSS1 (1.00) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL18405471 0.82 NOS1 (0.50) PRSS1PRSS2PRSS3LOXL2NOS1
SCHEMBL27595727 0.81 PRSS1 (0.65) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL45866 0.80 PARP1 (0.57) LOXL2
SCHEMBL14714355 0.80 PRSS1 (0.69) PRSS1PRSS2PRSS3LOXL2C1S
SCHEMBL14207821 0.80 SMYD3 (0.44) PRSS1PRSS2PRSS3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 — — US disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 — — US disclosed
EP-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 — — EP disclosed
CN-109468659-A The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase 云南师范大学 2019-03-15 — — CN disclosed
CN-109456273-A The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase 云南师范大学 2019-03-12 — — CN disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 — — US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 — — US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 — — US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 — — US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 — — 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 (10 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 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PRSS1 19/4885PRSS2 54/4885PRSS3 23/4885
US-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF PRSS1 16/4885PRSS2 43/4885PRSS3 61/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF PRSS1 16/4885PRSS2 43/4885PRSS3 61/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 PRSS1 1107/4885PRSS2 2207/4885PRSS3 1838/4885
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF PRSS1 16/4885PRSS2 43/4885PRSS3 61/4885

“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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