SCHEMBL16593304

SCHEMBL16593304

Fc1ccccc1Cn1cc(I)c2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CYP19A1 P11511 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE5A O76074 3/20 0.44
PDE4A P27815 3/20 0.44
PDE1A P54750 3/20 0.44
PDE1B Q01064 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PDE1C Q14123 3/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL16593338 0.85 KDM4E (0.40) ALDH1A1HTTSMN1; SMN2ATMKDM4E
SCHEMBL22001368 0.80 ALDH1A1 (0.66) NPC1RAB9ANOD2CYP19A1ALDH1A1
SCHEMBL16628257 0.79 NPC1 (0.58) NPC1RAB9ANOD2CYP19A1ALDH1A1
SCHEMBL16593230 0.79 POLB (0.45) NPC1RAB9ACYP19A1ALDH1A1HTT
SCHEMBL16593221 0.78 CHRM1 (0.43) CHRM1BRD4
SCHEMBL16593257 0.76 POLB (0.42) NPC1RAB9ACYP19A1ALDH1A1HTT
SCHEMBL16593314 0.75 CHRM1 (0.41) CHRM1
SCHEMBL16593228 0.74 MAPK1 (0.50) CYP19A1ALDH1A1HTTSMN1; SMN2CHRM1
SCHEMBL2050064 0.71 HTT (0.51) NPC1RAB9AHTTPDE4APDE4B
SCHEMBL16593271 0.71 GABRA1 (0.41) ALDH1A1HTTSMN1; SMN2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 EP disclosed
EP-3052496-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-11-28 EP disclosed
US-10072005-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-09-11 US disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 US disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 US disclosed
CN-105873927-A 4-azaindole derivatives 卫材R&D管理有限公司 2016-08-17 CN disclosed
EP-3052496-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2016-08-10 EP disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 WO disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 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-10072005-B2 4-azaindole derivatives CHRM1, CHRM4, CHRM2 NPC1 1577/4885RAB9A 1209/4885NOD2 3704/4885
US-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 NPC1 1577/4885RAB9A 1209/4885NOD2 3704/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 NPC1 1577/4885RAB9A 1209/4885NOD2 3704/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 NPC1 1577/4885RAB9A 1209/4885NOD2 3704/4885

“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.