SCHEMBL5114074

SCHEMBL5114074

O=C(O)c1cc(C(F)(F)F)ccc1NC(=O)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 1/20 0.62
RXFP1 Q9HBX9 7/20 0.60
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LIPC P11150 1/20 0.57
LIPG Q9Y5X9 1/20 0.57
KDM1A O60341 1/20 0.56
CCR2 P41597 1/20 0.52
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.49
ENPP3 O14638 3/20 0.46
ENPP2 Q13822 2/20 0.46
ENPP1 P22413 2/20 0.46

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
SCHEMBL5577029 0.93 LIPC (0.61) KMT2AMEN1TSHRRXFP1KDM4E
SCHEMBL32662692 0.84 KMT2A (0.73) KMT2AMEN1TSHRRXFP1LMNA
SCHEMBL5113833 0.81 LIPC (0.60) KMT2AMEN1KDM4EHSD17B10LIPC
SCHEMBL3886168 0.81 EPHX2 (0.58) KMT2AMEN1KDM4ELIPCLIPG
SCHEMBL30137402 0.78 KMT2A (0.69) KMT2AMEN1TSHRRXFP1LMNA
SCHEMBL7109818 0.78 RXFP1 (0.51) KMT2AMEN1TSHRRXFP1KDM4E
SCHEMBL9389068 0.78 KMT2A (0.60) KMT2AMEN1TSHRRXFP1KDM4E
SCHEMBL6105872 0.77 RXFP1 (0.55) KMT2AMEN1TSHRRXFP1LIPC
SCHEMBL3734919 0.77 LIPC (0.59) KMT2AMEN1KDM4ELIPCLIPG
SCHEMBL1826585 0.77 MEN1 (0.46) KMT2AMEN1TSHRRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 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 (2 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KMT2A 3935/4885MEN1 2396/4885TSHR 1807/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 KMT2A 3842/4885MEN1 2257/4885TSHR 1900/4885

“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.