SCHEMBL18324809

SCHEMBL18324809

O=S(=O)(N1CCOCC1)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
KDM4E B2RXH2 2/20 0.55
BRD4 O60885 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
CREBBP Q92793 1/20 0.55
ATM Q13315 1/20 0.52
HTR2C P28335 2/20 0.51
ADRB2 P07550 1/20 0.51
ADRA1D P25100 4/20 0.50
SLC6A4 P31645 1/20 0.48

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
SCHEMBL18324797 0.88 ADRA1D (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324713 0.84 KDM4E (0.60) CYP2D6KDM4EBRD4ALDH1A1POLB
SCHEMBL18324801 0.83 KDM4E (0.61) CYP2D6KDM4EBRD4ALDH1A1POLB
SCHEMBL18324679 0.82 KDM4E (0.64) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL26912090 0.81 CYP2D6 (0.65) CYP2D6KDM4EBRD4ALDH1A1POLB
SCHEMBL18324710 0.80 KDM4E (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324895 0.80 KDM4E (0.61) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL23153221 0.79 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324711 0.79 KDM4E (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324897 0.79 KDM4E (0.60) KDM4EBRD4ALDH1A1POLBCREBBP

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
EP-3082802-B1 TRYPTOPHAN-2,3-DIOXYGENASE (TDO) AND/OR INDOLAMINE-2,3-DIOXYGENASE (IDO) INHIBITORS AND THEIR USE IOMET PHARMA LTD (GB) 2020-02-26 EP disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 CYP2D6 17/4885KDM4E 465/4885BRD4 1542/4885

“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.