SCHEMBL11548259

SCHEMBL11548259

O=c1c(-c2nnn[nH]2)coc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.50
▸ MIF P14174 1/20 0.46
▸ MAOB P27338 5/20 0.43
▸ MAOA P21397 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL11553593 0.81 ALDH1A1 (0.45) MIFMAOBMAOACYP19A1KDM4E
SCHEMBL11550765 0.78 TP53 (0.37) MAOBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL11548968 0.78 MAPT (0.47) MAOBMAOAKDM4EALDH1A1MAPT
SCHEMBL11548529 0.77 TP53 (0.36) MAOBALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10743625 0.76 FTO (0.35) MAOBMAOAPTPN1CYP19A1KDM4E
SCHEMBL12892170 0.76 CYP11B1 (0.58) MAOBMAOAPTPN1CYP11B1CYP11B2
SCHEMBL11503586 0.76 ALOX15 (0.34) MIFMAOBMAOACYP19A1KDM4E
SCHEMBL11613988 0.75 ALDH1A1 (0.44) MAOAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8788013 0.73 NISCH (0.50) NISCHMIFMAOBMAOAPTPN1
SCHEMBL11552553 0.72 MAOB (0.58) MAOBMAOAPTPN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590142-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-03-17 — — US disclosed
EP-2991647-B1 DEUTERATED AMLEXANOX WITH IMPROVED METABOLIC STABILITY UNIV MICHIGAN REGENTS (US) 2019-04-24 — — EP disclosed
US-9944652-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-04-17 — — US disclosed
US-20160251366-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-09-01 — — US disclosed
US-9365581-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-14 — — US disclosed
EP-2991647-A1 DEUTERATED AMLEXANOX The Regents Of The University Of Michigan (US) 2016-03-09 — — EP disclosed
US-20160060271-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-03-03 — — US disclosed
US-8946424-B2 Deuterated amlexanox THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-02-03 — — US disclosed
WO-2014179734-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-06 — — WO disclosed
US-20140329848-A1 DEUTERATED AMLEXANOX THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-06 — — US disclosed
US-4151180-A INTERMEDIATES FOR ANTIALLERGENS, ANTIHISTAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-24 — — US disclosed
US-4116971-A 3-(1H-TETRAZOL-5-YL)CHROMONES WARNER-LAMBERT COMPANY (US) 1978-09-26 — — 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 (4 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-10590142-B2 Deuterated amlexanox DDX3X, DHX30, HAX1 NISCH 1512/4885MIF 4686/4885MAOB 4481/4885
US-20140329848-A1 DEUTERATED AMLEXANOX DDX3X, DHX30, HAX1 NISCH 1512/4885MIF 4686/4885MAOB 4481/4885
US-20160060271-A1 DEUTERATED AMLEXANOX AADAC, GPR119, IAPP NISCH 1094/4885MIF 40/4885MAOB 3072/4885
US-20160251366-A1 DEUTERATED AMLEXANOX DDX3X, DHX30, HAX1 NISCH 1512/4885MIF 4686/4885MAOB 4481/4885

“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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