SCHEMBL21467924

SCHEMBL21467924

Cc1ccc(OCC(=O)O/N=C/Cc2ccc(Cl)cc2Cl)cc1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ RAB9A P51151 3/20 0.45
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MCL1 Q07820 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL23094272 0.80 TDP1 (0.77) TDP1RAB9AMAPTNPC1L3MBTL1
SCHEMBL21467923 0.80 TDP1 (0.60) TDP1RAB9AATMMAPTNPC1
SCHEMBL21467761 0.77 MAPT (0.55) TDP1RAB9AATMMAPTNPC1
SCHEMBL21467944 0.70 TDP1 (0.45) TDP1RAB9AATMMAPTNPC1
SCHEMBL23094278 0.69 TDP1 (0.72) TDP1MAPTL3MBTL1SMN1; SMN2RECQL
SCHEMBL584257 0.67 ATM (0.65) TDP1RAB9AATMMAPTNPC1
SCHEMBL23094275 0.67 TDP1 (1.00) TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL23094249 0.67 TDP1 (0.75) TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL23094267 0.67 L3MBTL1 (0.47) TDP1MAPTL3MBTL1HPGDCYP3A4
SCHEMBL10965240 0.65 ATM (0.58) TDP1RAB9AATMMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-10-17 — — 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 (1 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-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS GPX4, AIFM2, GPX1 TDP1 4664/4885RAB9A 2758/4885ATM 1966/4885

“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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