SCHEMBL3985547

SCHEMBL3985547

CCN(c1nn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 2/20 0.30
AVPR1B P47901 2/20 0.30
PTGER4 P35408 1/20 0.30
FSCN1 Q16658 1/20 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
SCHEMBL3987909 0.92 ADORA3 (0.33) KMT2AMAPT
SCHEMBL3985868 0.91 KMT2A (0.31) KMT2A
SCHEMBL3985932 0.91 P2RX7 (0.31) KMT2AP2RX7AVPR1BPTGER4FSCN1
SCHEMBL3982499 0.90 ALDH1A1 (0.43) KMT2AMAPTALDH1A1AVPR1BPTGER4
SCHEMBL3983880 0.86 PTGER4 (0.33) P2RX7AVPR1BPTGER4FSCN1
SCHEMBL3990945 0.86 P2RX7 (0.36) P2RX7PTGER4FSCN1
SCHEMBL3985844 0.85 AVPR1B (0.33) P2RX7AVPR1BPTGER4
SCHEMBL3985457 0.85 PTGER4 (0.32) P2RX7AVPR1BPTGER4FSCN1
SCHEMBL3987901 0.85 AVPR1B (0.31) AVPR1B
SCHEMBL3984334 0.85 AVPR1B (0.34) P2RX7AVPR1BPTGER4FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP claimed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP KMT2A 1226/4885MAPT 3743/4885ALDH1A1 913/4885

“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.