SCHEMBL2607453

SCHEMBL2607453

CCCCC(CC)CN1C(=O)C2=C(c3ncc(-c4ccc(-c5cccs5)s4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ncc(-c2ccc(-c3cccs3)s2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PRKDC P78527 1/20 0.33
▸ DPP4 P27487 4/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30

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
SCHEMBL2607228 0.92 PRKDC (0.33) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2607283 0.92 PRKDC (0.33) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2607511 0.92 PRKDC (0.33) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2607288 0.92 PRKDC (0.33) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL13146685 0.89 PRKDC (0.35) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2607223 0.89 PRKDC (0.35) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL16456184 0.89 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL12913260 0.89 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL18066970 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL2607337 0.86 DPP4 (0.32) KDM4EALDH1A1HPGDTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 — — US disclosed
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 — — 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 (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-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS PPOX, PIN1, DDT KDM4E 2052/4885ALDH1A1 1580/4885HPGD 1269/4885

“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.

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