SCHEMBL7712394

SCHEMBL7712394

O=C(CO)c1ccc2[nH]ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.67
WNT3A P56704 7/20 0.67
F2 P00734 1/20 0.54
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49

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
SCHEMBL28790574 0.84 CTNNB1 (0.65) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL27594531 0.81 TUBB4A (0.67) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL30441226 0.80 CTNNB1 (1.00) CTNNB1WNT3ARAB9AMAPTACHE
SCHEMBL15969364 0.80 CTNNB1 (1.00) CTNNB1WNT3ARAB9AMAPTACHE
SCHEMBL31513821 0.80 CTNNB1 (0.60) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL6447473 0.79 F2 (0.59) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL105928 0.79 KDM4E (0.72) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL30440727 0.79 CTNNB1 (0.76) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL31314551 0.79 CTNNB1 (0.58) CTNNB1WNT3AF2RAB9ACYP1A2
SCHEMBL15969765 0.79 CTNNB1 (0.76) CTNNB1WNT3AF2RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598364-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-21 US disclosed
US-20150368195-A1 INDOLINE COMPOUNDS FOR TREATMENT AND/OR PREVENTION OF INFLAMMATION DISEASES TAIPEI MEDICAL UNIVERSITY (TW) 2015-12-24 US disclosed
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2014-12-11 US disclosed
US-8846748-B2 Indolyl or indolinyl hydroxamate compounds TAIPEI MEDICAL UNIVERSITY (TW) 2014-09-30 US disclosed
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2011-10-06 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-20150368195-A1 INDOLINE COMPOUNDS FOR TREATMENT AND/OR PREVENTION OF INFLAMMATION DISEASES IDO1, IDO2, INMT CTNNB1 1996/4885WNT3A 1776/4885F2 3020/4885
US-20110245315-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B CTNNB1 4432/4885WNT3A 3947/4885F2 1818/4885
US-20140364477-A1 INDOLYL OR INDOLINYL HYDROXAMATE COMPOUNDS IDH3A, IDH2, IDH3B CTNNB1 4432/4885WNT3A 3947/4885F2 1818/4885

“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.