SCHEMBL8907641

SCHEMBL8907641

NCCCCC(N)c1ccnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
FERMT2 Q96AC1 1/20 0.45
NCF1 P14598 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CAMK2D Q13557 1/20 0.36
SYK P43405 1/20 0.36
HRH1 P35367 1/20 0.36
CYP2D6 P10635 4/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL15924893 0.98 LOXL2 (0.47) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL15924403 0.95 LOXL2 (0.50) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL8907514 0.86 LOXL2 (0.44) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL8908581 0.85 KDM4E (0.45) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL14163267 0.84 FERMT2 (0.47) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL9186226 0.81 LOXL2 (0.47) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL4367045 0.80 FERMT2 (0.56) FERMT2MAPTCYP2D6CYP1A2CYP3A4
SCHEMBL263407 0.77 LOXL2 (0.50) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL277463 0.77 LOXL2 (0.50) LOXL2FERMT2NCF1HTR1AADRA1D
SCHEMBL8908132 0.77 LOXL2 (0.50) LOXL2FERMT2NCF1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774046-B2 Inhibitors for the treatment of cancer and related methods UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-09-15 US disclosed
US-20190127329-A1 INHIBITORS FOR THE TREATMENT OF CANCER AND RELATED METHODS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2019-05-02 US disclosed
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO 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-10774046-B2 Inhibitors for the treatment of cancer and related methods PFKFB4, PDK4, PFKFB1 LOXL2 4581/4885FERMT2 220/4885NCF1 4187/4885
US-20190127329-A1 INHIBITORS FOR THE TREATMENT OF CANCER AND RELATED METHODS PFKFB4, PDK4, PFKFB1 LOXL2 4581/4885FERMT2 220/4885NCF1 4187/4885

“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.