SCHEMBL12507239

SCHEMBL12507239

Cc1nc(-c2cc(C(=N)Nc3ccc(F)c(Cl)c3)no2)cs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
ABL1 P00519 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
P2RY1 P47900 1/20 0.38

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 0.87 MEN1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12507401 0.86 KMT2A (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2192869 0.86 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2192866 0.86 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14272789 0.80 L3MBTL1 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12507420 0.78 MEN1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12507025 0.76 KMT2A (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12507422 0.76 SMN1; SMN2 (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2190257 0.75 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2192875 0.74 IDO1 (0.52) NPC1RAB9A

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-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
US-20080125470-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-29 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-20110172279-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT KMT2A 675/4885MEN1 2391/4885NPC1 3902/4885
US-20080125470-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT KMT2A 675/4885MEN1 2391/4885NPC1 3902/4885

“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.