SCHEMBL6416865

SCHEMBL6416865

CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.45
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
TEAD2 Q15562 1/20 0.45
SLC2A1 P11166 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
EGFR P00533 2/20 0.43
ERBB2 P04626 2/20 0.43

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
SCHEMBL6414624 0.91 MEN1 (0.56) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL6078000 0.91 LMNA (0.55) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL6434588 0.85 SLC2A1 (0.59) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6412500 0.83 LMNA (0.49) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL13064495 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL6413122 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL6419946 0.82 EGFR (0.55) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL6077158 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL30131237 0.79 NSD2 (0.68) BCL2A1ALDH1A1KMT2ARAB9AHTT
SCHEMBL12449803 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 BCL2A1 1220/4885ALDH1A1 1020/4885MEN1 4741/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 BCL2A1 1202/4885ALDH1A1 239/4885MEN1 4837/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 BCL2A1 1202/4885ALDH1A1 239/4885MEN1 4837/4885

“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.