SCHEMBL7074338

SCHEMBL7074338

CN(C)CCCOc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
LMNA P02545 5/20 0.64
HPGD P15428 4/20 0.64
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
PDE7A Q13946 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL29769084 0.93 MAPT (0.62) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL3442514 0.93 MAPT (0.62) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL11765505 0.84 KDM4E (0.57) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL6816060 0.84 MAPT (0.73) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL15649292 0.83 CHRNB2 (0.50) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL7866170 0.83 RAB9A (0.62) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL3442297 0.83 S1PR4 (0.58) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL2682387 0.83 MAPT (0.57) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL6815842 0.82 MAPT (0.71) MAPTLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL3858494 0.82 MAPT (0.63) MAPTLMNAHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 MAPT 3898/4885LMNA 4701/4885HPGD 3968/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MAPT 3272/4885LMNA 4433/4885HPGD 4521/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MAPT 4129/4885LMNA 4692/4885HPGD 3878/4885

“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.