SCHEMBL9976598

SCHEMBL9976598

CC(C)C1CCN(Cc2ccncc2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
CCR2 P41597 1/20 0.42
GBA1 P04062 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL13741194 0.91 PKM (0.49) PKMMEN1KMT2AKDM4ECCR2
SCHEMBL8223850 0.90 KDM4E (0.48) PKMMEN1KMT2AKDM4ESIGMAR1
SCHEMBL13005299 0.84 ACHE (0.57) MEN1KMT2AKDM4ESIGMAR1CYP1A2
SCHEMBL13676574 0.84 ACHE (0.57) MEN1KMT2AKDM4ESIGMAR1CYP1A2
SCHEMBL13676573 0.84 ACHE (0.57) MEN1KMT2AKDM4ESIGMAR1CYP1A2
SCHEMBL9976597 0.82 CHRNB2 (0.55) KMT2AKDM4ESIGMAR1TRPV6ALDH1A1
Dimethylamine SCHEMBL27829630 0.80 BACE1 (0.53) CYP1A2CYP3A4ALDH1A1
SCHEMBL12767101 0.79 PKM (0.46) PKMMEN1KMT2AKDM4ESIGMAR1
SCHEMBL25531003 0.79 SIGMAR1 (0.50) MEN1KMT2AKDM4ESIGMAR1LMNA
SCHEMBL14197749 0.79 HRH3 (0.54) PKMMEN1KMT2AKDM4ESIGMAR1

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-8202887-B2 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors JANSSEN R&D IRELAND (IE) 2012-06-19 US disclosed
US-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-08-20 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-20090209583-A1 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SPINT2, PEPD, DNPEP PKM 2107/4885MEN1 4809/4885KMT2A 418/4885

“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.