SCHEMBL3984185

SCHEMBL3984185

CN1CCn2c(Br)c(C(=O)NNCc3ccc(F)cc3)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LIPG Q9Y5X9 1/20 0.36
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MAPK14 Q16539 1/20 0.35
KDM1A O60341 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL4748890 0.82 S1PR3 (0.41) LIPG
SCHEMBL3984184 0.82 KMT2A (0.38) LMNAL3MBTL1POLBRECQLSMN1; SMN2
SCHEMBL3986674 0.81 KMT2A (0.37) LMNAL3MBTL1MAPTPOLBRECQL
SCHEMBL4744605 0.80 LMNA (0.45) LMNAL3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL3984614 0.78 AKT1 (0.42) POLBRECQLSMN1; SMN2MAPK14
SCHEMBL3987589 0.78 SMN1; SMN2 (0.41) LMNAL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5139509 0.75 NPC1 (0.37) LMNAL3MBTL1MAPTSMN1; SMN2LIPG
SCHEMBL3982597 0.74 LMNA (0.44) LMNAL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5139036 0.72 SLC6A9 (0.34) L3MBTL1MAPTPOLBALDH1A1TSHR
SCHEMBL5118212 0.71 SMN1; SMN2 (0.40) LMNAL3MBTL1POLBRECQLSMN1; SMN2

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
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP LMNA 3682/4885L3MBTL1 1131/4885MAPT 3743/4885

“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.