SCHEMBL5630440

SCHEMBL5630440

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 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
SCHEMBL5630450 1.00 RAB9A (0.40) RAB9ASMN1; SMN2L3MBTL1ATMKMT2A
SCHEMBL5630859 0.93 KMT2A (0.44) RAB9ASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL5630868 0.93 KMT2A (0.44) RAB9ASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL5630103 0.92 KMT2A (0.40) RAB9ASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL5630095 0.92 KMT2A (0.40) RAB9ASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4985977 0.91 L3MBTL1 (0.42) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL16448428 0.91 LMNA (0.43) RAB9ASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4985970 0.91 L3MBTL1 (0.42) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL14462762 0.88 RAB9A (0.41) RAB9ASMN1; SMN2L3MBTL1ATMKMT2A
SCHEMBL5631425 0.87 MCHR1 (0.38) RAB9ASMN1; SMN2L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US claimed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT RAB9A 3593/4885SMN1; SMN2 3175/4885L3MBTL1 4311/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT RAB9A 3593/4885SMN1; SMN2 3175/4885L3MBTL1 4311/4885

“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.