SCHEMBL628125

SCHEMBL628125

COc1ccc(C(N)=O)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
AR P10275 1/20 0.46
PARP1 P09874 2/20 0.46
PARP10 Q53GL7 1/20 0.46

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
Hydrochloric Acid SCHEMBL7840484 0.98 MAPK1 (0.53) MAPK1L3MBTL1KMT2ACYP1A2CYP2C9
SCHEMBL79042 0.85 ALDH1A1 (0.50) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22601523 0.85 RARA (0.56) MAPK1L3MBTL1KMT2ACYP1A2CYP2C9
SCHEMBL29638900 0.85 ALDH1A1 (0.50) MAPK1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL615379 0.85 CA12 (0.62) MAPK1TSHRCA1CA2CA12
SCHEMBL2470879 0.83 NOTUM (0.62) L3MBTL1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1190600 0.83 CYP2C9 (0.44) MAPK1L3MBTL1KMT2ACYP1A2CYP2C9
SCHEMBL3548152 0.83 GPBAR1 (0.46) MAPK1L3MBTL1KMT2ACYP1A2CYP2C9
SCHEMBL2475087 0.83 MAPT (0.50) KMT2ACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL17664021 0.83 RXRA (0.53) MAPK1L3MBTL1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4429763-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS Yewsavin, Inc. (US) 2024-09-18 EP disclosed
WO-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 WO disclosed
EP-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 EP disclosed
CN-103958690-B Control is in the method that undesirable accessory substance is formed caused by contaminative organism in preparing ethanol by synthesis gas 赛纳塔生物有限公司 2017-08-29 CN disclosed
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US disclosed
CN-103958690-A Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA INC 2014-07-30 CN disclosed
US-20130071897-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-21 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 MAPK1 4718/4885L3MBTL1 921/4885KMT2A 3528/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 MAPK1 1644/4885L3MBTL1 1806/4885KMT2A 2701/4885

“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.