SCHEMBL6035934

SCHEMBL6035934

O=C(CCCCNCCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SIGMAR1 Q99720 5/20 0.44
DPP4 P27487 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ADRB2 P07550 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL4853949 0.99 RAB9A (0.48) RAB9AKDM4ESIGMAR1DPP4TDP1
SCHEMBL6036029 0.84 GPR84 (0.45) KDM4EADRB2ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL4854024 0.84 GPR84 (0.44) KDM4EADRB2ALDH1A1LMNATP53
SCHEMBL6034791 0.82 POLB (0.45) TDP1MAPT
Hydrochloric Acid SCHEMBL4860176 0.81 POLB (0.44) TDP1CHRM1MAPTSMN1; SMN2
SCHEMBL6035131 0.80 THRA (0.50) RAB9ASIGMAR1DPP4TDP1NPC1
Hydrochloric Acid SCHEMBL4860539 0.79 THRA (0.49) RAB9ASIGMAR1DPP4TDP1NPC1
SCHEMBL6034799 0.76 ALDH1A1 (0.51) RAB9AKDM4ESIGMAR1DPP4NPC1
SCHEMBL1827517 0.76 PDE4B (0.46) RAB9ATDP1NPC1L3MBTL1HDAC1
Hydrochloric Acid SCHEMBL4860132 0.75 ALDH1A1 (0.50) RAB9AKDM4ESIGMAR1DPP4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US claimed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US claimed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 RAB9A 2301/4885KDM4E 3792/4885SIGMAR1 2780/4885

“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.