SCHEMBL1245083

SCHEMBL1245083

O=C(Nc1cncc2c1C(=O)OC2=O)c1ccc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 9/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
LMNA P02545 2/20 0.45
STK33 Q9BYT3 1/20 0.44
MEN1 O00255 8/20 0.43
KDM4E B2RXH2 4/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL3380643 0.84 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL1244988 0.76 NPC1 (0.51) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL1245014 0.76 KMT2A (0.51) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL21749999 0.73 MAOA (0.40) HPGDSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL8230516 0.72 STK33 (0.39) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL1243695 0.72 F10 (0.48) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL1244979 0.71 KMT2A (0.45) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL3618151 0.69 KDM4C (0.58) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL23934267 0.69 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL23934282 0.68 KDM4E (0.59) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
EP-2029589-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF DPYD, QDPR, DHPS HPGD 47/4885SMN1; SMN2 3042/4885ALDH1A1 349/4885

“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.