SCHEMBL13069835

SCHEMBL13069835

CCC(C)c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CNR2 P34972 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
AAK1 Q2M2I8 3/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL21398388 0.85 LOXL2 (0.39) LOXL2ALOX15CNR2TSHRLMNA
SCHEMBL22299579 0.81 LOXL2 (0.36) LOXL2HPGDHRH4
SCHEMBL6560416 0.80 ALDH1A1 (0.43) ALDH1A1GAAHPGDALOX15USP2
SCHEMBL22260647 0.80 GPR84 (0.37) LOXL2ALDH1A1HPGDHRH4
SCHEMBL84449 0.79 LOXL2 (0.42) LOXL2ALDH1A1GAALMNAHTT
SCHEMBL10496105 0.78 UHRF1 (0.45) ALDH1A1GAAHPGDALOX15USP2
SCHEMBL21398692 0.78 USP2 (0.39) ALDH1A1GAAHPGDALOX15USP2
SCHEMBL12093203 0.77 LOXL2 (0.43) LOXL2ALOX15TSHRAAK1CYP2C9
SCHEMBL23376898 0.77 RECQL (0.41) LOXL2ALDH1A1GAAHPGDALOX15
SCHEMBL23376903 0.77 ALDH1A1 (0.41) ALDH1A1GAAHPGDALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 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 (4 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-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 LOXL2 3844/4885ALDH1A1 850/4885GAA 1774/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 LOXL2 2368/4885ALDH1A1 2584/4885GAA 4019/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 LOXL2 3671/4885ALDH1A1 375/4885GAA 1415/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 LOXL2 3844/4885ALDH1A1 850/4885GAA 1774/4885

“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.