SCHEMBL6907422

SCHEMBL6907422

Nc1cccc([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 7/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 2/20 0.44
F10 P00742 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
PTK2 Q05397 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 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
SCHEMBL9032140 1.00 CNR1 (0.50) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL6900498 0.86 CNR1 (0.67) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL9033095 0.86 CNR1 (0.67) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL6902360 0.85 MEN1 (0.49) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL9034906 0.85 MEN1 (0.49) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL6901308 0.84 CNR1 (0.47) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL9034699 0.84 CNR1 (0.47) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL6907226 0.83 KMT2A (0.53) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL9033725 0.83 KMT2A (0.53) CNR1L3MBTL1KMT2AMEN1RAB9A
SCHEMBL6906200 0.79 SMN1; SMN2 (0.56) CNR1L3MBTL1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E CNR1 4058/4885L3MBTL1 1445/4885KMT2A 2276/4885

“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.