SCHEMBL6764463

SCHEMBL6764463

CC(=O)n1cc(C=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 9/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ERN1 O75460 2/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SNCA P37840 1/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL7834682 0.89 KMT2A (0.49) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL379545 0.80 ALDH1A1 (0.59) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5317581 0.76 CYP1A2 (0.51) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL2887696 0.75 MTNR1A (0.55) ALDH1A1ERN1LMNA
SCHEMBL3352006 0.75 MAPT (0.52) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29277388 0.73 ALDH1A1 (0.64) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL870631 0.73 KMT2A (0.59) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL3353763 0.72 ALDH1A1 (0.52) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL949809 0.72 KDM4E (0.63) KMT2AMAPTALDH1A1KDM4ELMNA
SCHEMBL3353614 0.71 ALDH1A1 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E

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-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects PINTOR JESUS J (ES) 2004-10-07 US disclosed
US-6730707-B2 SUCH AS 5-(METHOXYCARBONYLAMINO)-N-ACETYLTRYPTAMINE; TREATING OCULAR HYPERTENSION, VARIOUS FORMS OF GLAUCOMA INSPIRE PHARMACEUTICALS, INC. 2004-05-04 US disclosed
EP-1307191-A2 USE OF INDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRACULAR PRESSURE Inspire Pharmaceuticals, Inc. (US) 2003-05-07 EP disclosed
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-03-28 US disclosed
WO-2002009702-A2 USE OF INDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR REDUCING INTRACULAR PRESSURE INSPIRE PHARMACEUTICALS, INC. (US) 2002-02-07 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 (2 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-20040198803-A1 Such as 5-(methoxycarbonylamino)-N - acetyltryptamine; therapy for ocular hypertension; vision defects MTNR1A, MTNR1B, MC5R KMT2A 1451/4885MEN1 388/4885POLB 2768/4885
US-20020037887-A1 Method for reducing intraocular pressure using indole derivatives MTNR1A, MTNR1B, MC5R KMT2A 1054/4885MEN1 514/4885POLB 3190/4885

“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.