SCHEMBL4773786

SCHEMBL4773786

COc1ccc(-c2cc3cccc(F)c3c[n+]2[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL7601215 0.75 HSD17B1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4763693 0.75 NPC1 (0.38) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13715428 0.71 CYP1A2 (0.55) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4770350 0.70 KDM4E (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4765890 0.70 CYP1A2 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4774598 0.69 CYP11B2 (0.42) NPC1RAB9AKDM4EMAPTCASP3
SCHEMBL5981374 0.68 CYP1A2 (0.55) NPC1RAB9AFLT3
SCHEMBL18255788 0.65 SYK (0.54) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL30278582 0.65 KDM4E (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14164168 0.63 RAB9A (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 NPC1 4578/4885RAB9A 2421/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 NPC1 4576/4885RAB9A 2304/4885KDM4E 1058/4885

“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.