SCHEMBL4484242

SCHEMBL4484242

COC(=O)c1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
MAPK8 P45983 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
P2RX7 Q99572 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
KCNH2 Q12809 1/20 0.32
PKM P14618 2/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL4484250 0.93 PDK1 (0.34) MAPK8HDAC1HDAC6KCNH2
SCHEMBL4489427 0.92 AKR1B1 (0.33) MAPTMAPK8HDAC1HDAC6KCNH2
SCHEMBL4480367 0.91 HDAC1 (0.35) MAPK8HDAC1HDAC6
SCHEMBL4486052 0.91 METAP2 (0.35) HDAC1HDAC6
SCHEMBL4473288 0.90 HDAC1 (0.36) MAPK8HDAC1HDAC6
SCHEMBL4486216 0.90 P2RX7 (0.32) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4480516 0.90 LMNA (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4489561 0.90 MAPK8 (0.36) MAPTMAPK8HDAC1HDAC6
SCHEMBL4484029 0.90 OPRM1 (0.34) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4491822 0.89 OPRD1 (0.35) MAPTALDH1A1SMN1; SMN2KCNH2

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MEN1 4754/4885KMT2A 1470/4885MAPT 2916/4885

“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.