SCHEMBL2730451

SCHEMBL2730451

COc1ccc2[nH]c(C#N)c(Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
GFER P55789 1/20 0.56
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HTR1D P28221 2/20 0.44
HTR6 P50406 2/20 0.44
ACHE P22303 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL15486288 0.81 ALDH1A1 (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11626453 0.77 ALDH1A1 (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2729876 0.76 KDM4E (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2997143 0.76 CSNK2A1 (0.44) MAPTMEN1KMT2AHPGDRXFP1
SCHEMBL5838270 0.74 ALDH1A1 (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29391519 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2597652 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11625815 0.73 ALDH1A1 (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL25229990 0.72 NSD2 (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30052735 0.72 NSD2 (0.61) KDM4EALDH1A1MAPTMEN1KMT2A

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
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP disclosed
CN-103201276-B Indole derivatives RICHTER GEDEON NYRT 2015-02-25 CN disclosed
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP disclosed
US-20130217702-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. 2013-08-22 US disclosed
CN-103201276-A Indole derivatives RICHTER GEDEON NYRT 2013-07-10 CN disclosed
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 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-20130217702-A1 INDOLE DERIVATIVES BDKRB1, BDKRB2, ARRB1 KDM4E 3663/4885ALDH1A1 1752/4885MAPT 2040/4885

“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.