SCHEMBL6906200

SCHEMBL6906200

O=C(Nc1ccc(Cl)cn1)N[C@@H]1C[C@@H]1c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 7/20 0.51
NPC1 O15118 4/20 0.51
FPR1 P21462 1/20 0.51
FPR2 P25090 1/20 0.51
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.46
BRD4 O60885 1/20 0.45
CNR1 P21554 1/20 0.44
PTK2 Q05397 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL6907303 0.94 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL6907299 0.94 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL6909347 0.88 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL9031982 0.88 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL6907458 0.86 RAB9A (0.45) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL6905283 0.86 RAB9A (0.46) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL6907454 0.86 RAB9A (0.45) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL6907434 0.85 FPR1 (0.47) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL9034398 0.85 FPR1 (0.47) SMN1; SMN2L3MBTL1TDP1RAB9ANPC1
SCHEMBL6905845 0.83 HCRTR1 (0.46) KMT2AMEN1BRD4HCRTR1HCRTR2

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 4 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
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP 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 SMN1; SMN2 4248/4885L3MBTL1 1445/4885TDP1 461/4885

“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.