SCHEMBL3268723

SCHEMBL3268723

Cc1cc(C)n(/C(N)=N/[N+](=O)[O-])n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.42
ENPP3 O14638 2/20 0.42
ALPL P05186 2/20 0.42
XIAP P98170 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2085732 1.00 NPC1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
Nitric Acid SCHEMBL637677 0.75 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
Nitric Acid SCHEMBL28996492 0.74 NPC1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL13810841 0.73 NPC1 (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7216570 0.72 TSHR (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Nitric Acid SCHEMBL6702127 0.72 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
Nitrous Acid SCHEMBL14661057 0.69 TSHR (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7822557 0.69 NPC1 (0.32) NPC1RAB9A
SCHEMBL9384894 0.69 MEN1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL2085730 0.68 KMT2A (0.44) NPC1RAB9AMAPTMEN1KMT2A

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-8188133-B2 Imidazole derivatives, preparation and user thereof as medicine IPSEN PHARMA S.A.S. (FR) 2012-05-29 US disclosed
EP-2024335-B1 NOVEL IMIDAZOLE DERIVATIVES, PREPARATION AND USER THEREOF AS MEDICINE IPSEN PHARMA (FR) 2010-06-23 EP disclosed
US-20090186930-A1 NOVEL IMIDAZOLE DERIVATIVES, PREPARATION AND USER THEREOF AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-07-23 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 (1 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-20090186930-A1 NOVEL IMIDAZOLE DERIVATIVES, PREPARATION AND USER THEREOF AS MEDICINE CYP51A1, IKZF3, MIF NPC1 581/4885RAB9A 967/4885MAPT 3996/4885

“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.