SCHEMBL4247628

SCHEMBL4247628

CCOC(=O)c1ccc(OCCN)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
MAOA P21397 1/20 0.59
STS P08842 1/20 0.58
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MAPT P10636 4/20 0.56
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TBXAS1 P24557 1/20 0.54
ALDH1A1 P00352 3/20 0.54

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 SCHEMBL4247625 0.98 TDP1 (0.61) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL9798438 0.92 L3MBTL1 (0.61) TDP1L3MBTL1LMNACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL6983034 0.90 TDP1 (0.59) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL6701399 0.90 TDP1 (0.74) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL4536231 0.87 TDP1 (0.62) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL950916 0.86 L3MBTL1 (0.66) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL5166263 0.86 TDP1 (0.66) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL6867384 0.85 TDP1 (0.64) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL76052 0.84 ALDH1A1 (0.66) TDP1L3MBTL1LMNACYP3A4CYP1A2
SCHEMBL4518721 0.83 TDP1 (0.62) TDP1L3MBTL1LMNACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321261-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2020-06-17 EP disclosed
EP-3321261-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2018-05-16 EP disclosed
EP-2661425-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2018-02-28 EP disclosed
EP-2661425-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2018-02-28 EP disclosed
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 US disclosed
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 US disclosed
CN-103547567-B There is the Hedgelog protein antagonist of zinc bound fraction 柯瑞斯公司 2016-09-14 CN disclosed
CN-103547567-A Hedgehog antagonists having zinc binding moieties CURIS INC 2014-01-29 CN disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 US disclosed
EP-2661425-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2013-11-13 EP disclosed
WO-2012094328-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS, INC. (US) 2012-07-12 WO disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 US disclosed
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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 (3 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-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 TDP1 4519/4885L3MBTL1 1382/4885LMNA 4754/4885
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 TDP1 263/4885L3MBTL1 1527/4885LMNA 2081/4885
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 TDP1 4519/4885L3MBTL1 1382/4885LMNA 4754/4885

“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.