SCHEMBL9896451

SCHEMBL9896451

O=C(Nc1ccc(C(=O)O)nc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 13/20 1.00
KCNQ3 O43525 1/20 0.67
KCNQ2 O43526 1/20 0.67
PTPN2 P17706 1/20 0.63
PTPN1 P18031 1/20 0.63
RAB9A P51151 3/20 0.61
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.60
NAMPT P43490 1/20 0.57

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
SCHEMBL23488444 0.87 P4HTM (0.77) P4HTMKCNQ3KCNQ2PTPN2PTPN1
SCHEMBL28598761 0.86 P4HTM (1.00) P4HTMKCNQ3KCNQ2RAB9AKDM4E
SCHEMBL9895324 0.83 P4HTM (1.00) P4HTMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL15653042 0.82 P4HTM (0.68) P4HTMKCNQ3KCNQ2KMT2A
SCHEMBL5648744 0.81 KCNQ3 (0.69) P4HTMKCNQ3KCNQ2PTPN2PTPN1
SCHEMBL31110262 0.80 KCNQ3 (0.67) P4HTMKCNQ3KCNQ2PTPN2PTPN1
SCHEMBL920341 0.80 KCNQ3 (0.67) P4HTMKCNQ3KCNQ2PTPN2PTPN1
SCHEMBL30930679 0.80 KCNQ3 (0.67) P4HTMKCNQ3KCNQ2PTPN2PTPN1
SCHEMBL13947518 0.80 KCNQ3 (0.67) P4HTMKCNQ3KCNQ2PTPN2PTPN1
SCHEMBL5217004 0.80 KCNQ3 (1.00) P4HTMKCNQ3KCNQ2PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG P4HTM 2380/4885KCNQ3 4487/4885KCNQ2 4326/4885
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 P4HTM 1793/4885KCNQ3 4428/4885KCNQ2 4379/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG P4HTM 2380/4885KCNQ3 4487/4885KCNQ2 4326/4885

“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.