SCHEMBL9944129

SCHEMBL9944129

CCOc1c(C)cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
GALR3 O60755 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GPR35 Q9HC97 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 2/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL1458180 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTGALR3
SCHEMBL28786634 0.85 CYP19A1 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6986698 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL11512531 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL28256008 0.74 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTGALR3
SCHEMBL27455048 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTGALR3
SCHEMBL16577794 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTGALR3
SCHEMBL16047686 0.73 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL29057016 0.73 AKR1B1 (0.50) ALDH1A1KMT2AHTTMAPTTDP1
SCHEMBL16451131 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTGALR3

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-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

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 ALDH1A1 128/4885MEN1 4809/4885KMT2A 1418/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG ALDH1A1 128/4885MEN1 4809/4885KMT2A 1418/4885

“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.