SCHEMBL13623008

SCHEMBL13623008

Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HPGD P15428 5/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALOX5 P09917 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 4/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
GLA P06280 1/20 0.55
THRA P10827 1/20 0.53
POLB P06746 1/20 0.53
FFAR1 O14842 1/20 0.53

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
Hydrochloric Acid SCHEMBL1025685 0.99 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL1083633 0.87 MEN1 (0.77) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL31546677 0.85 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL4156900 0.84 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL13670025 0.82 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL13633077 0.82 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL2830307 0.82 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL11628064 0.82 PTPN1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1024073 0.81 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2ALOX5MEN1
SCHEMBL12813280 0.81 MMP13 (0.74) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALDH1A1 2511/4885HPGD 4536/4885SMN1; SMN2 4274/4885

“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.