SCHEMBL16441007

SCHEMBL16441007

CCC(=O)c1ccc2c(c1)cc(CC)n2C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL16440987 0.88 HSD17B3 (0.44) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL16441004 0.86 KDM4E (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10066188 0.84 KDM4E (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL16441005 0.81 LMNA (0.44) RAB9AATMMAPK1MAPTNPC1
SCHEMBL14745543 0.78 SIGMAR1 (0.34) SIGMAR1RAB9AATMMAPK1MAPT
SCHEMBL10857824 0.78 BRPF1 (0.53) SIGMAR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL16440999 0.78 HSD17B3 (0.42) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL16441006 0.77 RAB9A (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL27594512 0.74 TUBB4A (0.52) SIGMAR1RAB9AATMNPC1ALDH1A1
SCHEMBL21573033 0.73 ALDH1A1 (0.59) SIGMAR1RAB9AATMMAPTNPC1

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP SIGMAR1 868/4885RAB9A 1346/4885ATM 4210/4885

“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.