SCHEMBL3205808

SCHEMBL3205808

CC(=N)Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
PTPN2 P17706 3/20 0.48
PTPN1 P18031 3/20 0.48
PTPN5 P54829 3/20 0.48
HSPD1 P10809 2/20 0.48
HSPE1 P61604 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
PPARG P37231 1/20 0.46
P2RY14 Q15391 1/20 0.46

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
SCHEMBL3198931 0.91 PTPN2 (0.59) NPC1RAB9APTPN2PTPN1PTPN5
SCHEMBL3195900 0.87 CASP3 (0.55) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3193627 0.86 RAB9A (0.64) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3184586 0.85 NPC1 (0.66) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3182424 0.84 NPC1 (0.64) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3190505 0.84 CASP3 (0.76) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3184541 0.82 TP53 (0.64) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL3194185 0.80 RAB9A (0.58) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29802515 0.79 CASP3 (0.65) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL26932181 0.79 CASP3 (0.65) NPC1RAB9AMEN1KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885MEN1 3366/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPC1 4082/4885RAB9A 2198/4885MEN1 3366/4885

“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.