SCHEMBL6906171

SCHEMBL6906171

CCOc1ccc(F)c(F)c1CCNC(=O)Nc1ccc(Br)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 5/20 0.58
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6905335 0.89 RAB9A (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6907153 0.88 ALDH1A1 (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL14439884 0.81 ALDH1A1 (0.54) RAB9ANPC1MAPTMEN1KMT2A
Thiourea, N-(5-Bromo-2-Pyridinyl)-N'-(2-(2-Chloro-3-Ethoxy-6-Fluorophenyl)Ethyl)- SCHEMBL6906082 0.78 ALDH1A1 (0.52) RAB9ANPC1MAPTMEN1KMT2A
Thiourea, N-(5-Bromo-2-Pyridinyl)-N'-(2-(2-Chloro-3-Ethoxy-6-Fluorophenyl)Ethyl)- SCHEMBL29422945 0.78 ALDH1A1 (0.52) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2792582 0.77 ALDH1A1 (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6905330 0.77 RAB9A (0.47) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6907237 0.77 RAB9A (0.47) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6905326 0.77 RAB9A (0.47) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL31241101 0.74 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2TSHR

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 RAB9A 3313/4885NPC1 1253/4885MAPT 1337/4885

“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.