SCHEMBL9896549

SCHEMBL9896549

O=C(O)c1ccc(C(=O)Nc2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
P4HTM Q9NXG6 3/20 0.60
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CNR1 P21554 1/20 0.49
KDR P35968 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
PTPN1 P18031 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL31025870 0.78 AHR (0.69) POLBRAB9AALDH1A1NPC1KDM4E
SCHEMBL6450288 0.77 ALDH1A1 (0.84) POLBP4HTMRAB9AALDH1A1NPC1
SCHEMBL30834279 0.76 RAB9A (0.73) POLBP4HTMRAB9AALDH1A1NPC1
SCHEMBL15347911 0.76 POLB (1.00) POLBRAB9AALDH1A1NPC1KDM4E
SCHEMBL698657 0.76 KDM4E (0.52) P4HTMALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL9895324 0.75 P4HTM (1.00) POLBP4HTMRAB9AALDH1A1NPC1
SCHEMBL231897 0.74 KDR (0.78) POLBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13210581 0.74 ALDH1A1 (1.00) POLBP4HTMRAB9AALDH1A1NPC1
SCHEMBL30834320 0.74 ALDH1A1 (1.00) POLBP4HTMRAB9AALDH1A1NPC1
SCHEMBL7862687 0.74 RAB9A (0.70) POLBP4HTMRAB9AALDH1A1NPC1

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-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-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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG POLB 3821/4885P4HTM 2380/4885RAB9A 271/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG POLB 3821/4885P4HTM 2380/4885RAB9A 271/4885

“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.