SCHEMBL4690330

SCHEMBL4690330

Cc1ccc(NC(=O)c2ccccc2C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ LMNA P02545 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ MAPT P10636 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.55
▸ PNLIP P16233 1/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HPGD P15428 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL6120684 0.86 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL7058035 0.84 RAB9A (0.79) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL11916695 0.84 PNLIP (0.59) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL19828923 0.84 NPC1 (0.66) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL12673759 0.82 PNLIP (0.57) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL7445687 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL20885151 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL3684485 0.80 HPGD (0.79) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL29519361 0.80 HPGD (0.79) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL5079177 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — US disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 — — US disclosed
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 — — EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 — — US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 — — 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 (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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC RAB9A 1532/4885NPC1 2642/4885SMN1; SMN2 4403/4885
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 RAB9A 3788/4885NPC1 2813/4885SMN1; SMN2 4278/4885
US-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS RAB9A 3808/4885NPC1 1035/4885SMN1; SMN2 3861/4885

“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.

Send feedback