SCHEMBL15078624

SCHEMBL15078624

CC(=O)Oc1cccc2ccc(/C=C\O)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.65
▸ MEN1 O00255 12/20 0.65
▸ NPC1 O15118 11/20 0.65
▸ RAB9A P51151 10/20 0.65
▸ ALDH1A1 P00352 6/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ LMNA P02545 5/20 0.65
▸ HPGD P15428 4/20 0.65
▸ TP53 P04637 2/20 0.65
▸ MAPT P10636 10/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ POLB P06746 3/20 0.53
▸ KDM4E B2RXH2 4/20 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
SCHEMBL16283434 0.84 KMT2A (0.59) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3859264 0.82 KMT2A (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL27952547 0.80 KMT2A (0.58) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL28662218 0.79 KMT2A (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL12281794 0.77 KMT2A (0.73) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL28555834 0.77 CYP1A2 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL15532332 0.77 KMT2A (0.51) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL12280667 0.76 KMT2A (0.66) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4458654 0.76 KMT2A (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19603065 0.76 KMT2A (0.50) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364454-A1 METAL-CHELATING COMPOUNDS HAVING AT LEAST ONE POLYAMINO CHAIN CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-12-11 — — US disclosed
US-20140364454-A1 METAL-CHELATING COMPOUNDS HAVING AT LEAST ONE POLYAMINO CHAIN CNRS-CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-12-11 — — US disclosed
WO-2013092556-A1 METAL-CHELATING COMPOUNDS HAVING AT LEAST ONE POLYAMINO CHAIN UNIVERSITE DE RENNES I (FR) 2013-06-27 — — 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 (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-20140364454-A1 METAL-CHELATING COMPOUNDS HAVING AT LEAST ONE POLYAMINO CHAIN SLC30A7, HAMP, SLC8B1 KMT2A 523/4885MEN1 1464/4885NPC1 478/4885

“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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