SCHEMBL19215315

SCHEMBL19215315

O=C(NC1CCCCC1)c1ncccc1F

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
GAA P10253 1/20 0.64
RAB9A P51151 3/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CNR2 P34972 4/20 0.52
CNR1 P21554 3/20 0.52
NPC1 O15118 2/20 0.51
HSD11B1 P28845 1/20 0.49
HIF1A Q16665 1/20 0.49
HCRTR1 O43613 1/20 0.48
KDM5A P29375 1/20 0.47

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
SCHEMBL28488542 0.95 ALDH1A1 (0.58) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL5583848 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL14284346 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL22722011 0.83 ELANE (0.49) ALDH1A1KDM4EGAARAB9ACNR2
SCHEMBL12436726 0.83 ELANE (0.49) ALDH1A1KDM4EGAARAB9ACNR2
SCHEMBL22449359 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL9207305 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL9207132 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EGAARAB9AKMT2A
SCHEMBL20068957 0.79 KDM5A (0.57) ALDH1A1KDM5A
SCHEMBL31432000 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EGAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 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-10597390-B2 Indoles for use in influenza virus infection IDO1, IDO2, INMT ALDH1A1 143/4885KDM4E 545/4885GAA 3541/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT ALDH1A1 143/4885KDM4E 545/4885GAA 3541/4885

“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.