SCHEMBL12758441

SCHEMBL12758441

O=C(Nc1ccccc1C(=O)O)c1ccc(C(=O)Nc2ccccc2C(=O)O)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ DHODH Q02127 1/20 0.58
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KCNK2 O95069 1/20 0.50
▸ KCNK10 P57789 1/20 0.50
▸ MASP2 O00187 1/20 0.50
▸ PRSS12 P56730 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
SCHEMBL12758444 0.84 PDCD1 (0.58) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL38652227 0.81 RAB9A (0.74) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL13701150 0.81 RAB9A (0.74) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2058331 0.81 ALDH1A1 (0.68) KMT2AMEN1PKMDHODHNPC1
SCHEMBL7236771 0.80 KDM4E (0.51) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL7239351 0.80 PRSS12 (0.54) DHODHNPC1RAB9ATP53SMN1; SMN2
SCHEMBL414754 0.79 MEN1 (0.83) KMT2AMEN1PKMDHODHNPC1
SCHEMBL2028671 0.79 DHODH (0.86) KMT2AMEN1PKMDHODHNPC1
SCHEMBL31053873 0.79 MEN1 (0.83) KMT2AMEN1PKMDHODHNPC1
SCHEMBL6383279 0.78 HDAC1 (0.60) NPC1RAB9ATP53SMN1; SMN2

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-20230094960-A1 COMPOSITION AND COMPOUND FUJIFILM CORPORATION (JP) 2023-03-30 — — US disclosed
US-7897761-B2 Heterocyclic compound FUJIFILM CORPORATION (JP) 2011-03-01 — — US disclosed
US-7897761-B2 Heterocyclic compound FUJIFILM CORPORATION (JP) 2011-03-01 — — US disclosed
US-20100004439-A1 Heterocyclic Compound FUJIFLM CORPORATION (JP) 2010-01-07 — — US disclosed
US-20100004439-A1 Heterocyclic Compound FUJIFLM CORPORATION (JP) 2010-01-07 — — 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 (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-20230094960-A1 COMPOSITION AND COMPOUND HAX1, YBX1, CYFIP1 KMT2A 2962/4885MEN1 2407/4885PKM 2046/4885
US-20100004439-A1 Heterocyclic Compound PTGER1, CYP1A1, ALOX12 KMT2A 2188/4885MEN1 1918/4885PKM 2644/4885

“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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