SCHEMBL7127733

SCHEMBL7127733

N#CNCCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
MPO P05164 3/20 0.49
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
AOC3 Q16853 1/20 0.42
HTR2A P28223 1/20 0.42
CNR1 P21554 1/20 0.41
HIF1A Q16665 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL8501463 0.81 TAAR1 (0.58) TAAR1MPOHPGDCYP1A2GLA
SCHEMBL24048481 0.77 MPO (0.56) TAAR1MPOCYP2D6HTR2AHIF1A
SCHEMBL8127550 0.77 TAAR1 (0.58) TAAR1CYP1A2
Hydrochloric Acid SCHEMBL7368184 0.75 TAAR1 (0.67) TAAR1MPOHPGDCYP1A2GLA
SCHEMBL1151583 0.74 TAAR1 (0.56) TAAR1MPOHPGDMEN1KMT2A
SCHEMBL28964921 0.74 TAAR1 (0.64) TAAR1MPOHPGDCYP1A2GLA
SCHEMBL27927899 0.74 TAAR1 (0.64) TAAR1MPOHPGDCYP1A2GLA
SCHEMBL6894181 0.74 TAAR1 (0.64) TAAR1MPOHPGDCYP1A2GLA
SCHEMBL28598186 0.74 TAAR1 (0.64) TAAR1MPOHPGDCYP1A2GLA
SCHEMBL27565797 0.74 TAAR1 (0.64) TAAR1MPOHPGDCYP1A2GLA

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 TAAR1 4654/4885MPO 685/4885HPGD 1431/4885

“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.