SCHEMBL2191016

SCHEMBL2191016

CNc1nc(-c2cc(C(=N)N(O)c3ccc(F)c(Cl)c3)no2)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
AR P10275 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL12507344 0.82 MEN1 (0.45) ABL1NPC1RAB9AMAPTALDH1A1
SCHEMBL2190257 0.78 KMT2A (0.59) ABL1NPC1RAB9AMAPTMEN1
SCHEMBL2190279 0.77 MEN1 (0.44) ABL1NPC1RAB9AMAPTALDH1A1
SCHEMBL2190285 0.77 MEN1 (0.44) ABL1NPC1RAB9AMAPTALDH1A1
SCHEMBL2190288 0.74 IDO1 (0.51) ABL1NPC1RAB9A
SCHEMBL12507239 0.69 KMT2A (0.47) ABL1NPC1RAB9AMAPTALDH1A1
SCHEMBL12507345 0.67 ECE1 (0.54) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL2192866 0.64 KMT2A (0.46) ABL1NPC1RAB9AMAPTALDH1A1
SCHEMBL2192869 0.64 KMT2A (0.46) ABL1NPC1RAB9AMAPTALDH1A1
SCHEMBL6046626 0.63 IDO1 (0.49) RAB9AALDH1A1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377976-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-02-19 US disclosed
US-20110172279-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION, A DELAWARE CORPORATION 2011-07-14 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 (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-20110172279-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT ABL1 589/4885NPC1 3902/4885RAB9A 3376/4885

“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.