SCHEMBL18701979

SCHEMBL18701979

CC(C)(C)C(=O)N1CCN(c2nnc(C(F)(F)F)o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A9 P48067 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
LMNA P02545 1/20 0.36
PDK2 Q15119 2/20 0.36
IDE P14735 1/20 0.35

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
SCHEMBL18711349 0.85 MEN1 (0.47) SPRMEN1KMT2ASLC6A9
SCHEMBL16196893 0.83 HDAC4 (0.48) SPRALDH1A1HTTMAPTCKS1B
SCHEMBL18702034 0.74 SPR (0.52) SPRMEN1KMT2ANPC1RAB9A
SCHEMBL18702044 0.72 SPR (0.44) SPRMEN1KMT2ASLC6A9NPC1
SCHEMBL18701975 0.72 MAPT (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL18702047 0.71 RAB9A (0.59) SPRMEN1KMT2ANPC1RAB9A
SCHEMBL18702045 0.70 CNR2 (0.49) SPRMEN1KMT2ANPC1RAB9A
SCHEMBL18702286 0.70 SPR (0.51) SPRMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL16197004 0.69 MEN1 (0.41) SPRMEN1KMT2ASLC6A9ALDH1A1
SCHEMBL18702196 0.69 SPR (0.49) SPRKMT2ANPC1RAB9AALDH1A1

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-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885MEN1 4876/4885KMT2A 2884/4885

“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.