SCHEMBL2206799

SCHEMBL2206799

O=C(O)N1CCNC(=S)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GPR6 P46095 1/20 0.30

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
SCHEMBL5310807 0.78 MAPK1 (0.42)
SCHEMBL1497667 0.78 KMT2A (0.43) NPSR1KMT2A
SCHEMBL2206836 0.74 MAPK1 (0.50) KMT2A
SCHEMBL12468752 0.73 MEN1 (0.31) KMT2A
SCHEMBL2207650 0.73 GABRP (0.32) KMT2ASIGMAR1
SCHEMBL2207648 0.73 GABRP (0.32) KMT2ASIGMAR1
SCHEMBL15319 0.68
SCHEMBL6961568 0.68
SCHEMBL17100538 0.68 CA2 (0.56) SIGMAR1
SCHEMBL163317 0.67 KMT2A (0.58) KMT2A

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
EP-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP disclosed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 NPSR1 3257/4885KMT2A 1780/4885SIGMAR1 2288/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 NPSR1 3466/4885KMT2A 1004/4885SIGMAR1 2869/4885

“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.