SCHEMBL21963816

SCHEMBL21963816

O=S1(=O)CCN(c2ccc(N3CCCNCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
CHRNB2 P17787 7/20 0.50
CHRNA4 P43681 7/20 0.50
ADRB1 P08588 5/20 0.50
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNA7 P36544 1/20 0.46
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL10510808 0.93 KDM4E (0.58) KDM4EADRB1HTR3EHTR3BHTR3A
Water SCHEMBL10512053 0.91 KDM4E (0.56) KDM4EADRB1HTR3EHTR3BHTR3A
SCHEMBL17276864 0.79 ADRB1 (0.68) KDM4ECHRNB2CHRNA4ADRB1HTR3E
SCHEMBL26635369 0.78 ADRB1 (0.57) KDM4ECHRNB2CHRNA4ADRB1HTR3E
SCHEMBL5570604 0.77 ADRB1 (0.77) KDM4ECHRNB2CHRNA4ADRB1HTR3E
SCHEMBL24028031 0.77 CHRNB2 (0.58) KDM4ECHRNB2CHRNA4ADRB1HTR3E
SCHEMBL658716 0.77 ADRB1 (0.85) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL20907901 0.77 ADRB1 (0.55) KDM4ECHRNB2CHRNA4ADRB1HTR3E
SCHEMBL2319970 0.77 ALDH1A1 (0.62) KDM4ECHRNB2CHRNA4ADRB1HTR3E
SCHEMBL5237662 0.77 HTR3A (0.57) KDM4ECHRNB2CHRNA4ADRB1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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 (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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 KDM4E 849/4885CHRNB2 3882/4885CHRNA4 4539/4885

“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.