SCHEMBL5113833

SCHEMBL5113833

O=C(O)c1cc(C(F)(F)F)ccc1NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.60
LIPG Q9Y5X9 1/20 0.60
KDM1A O60341 2/20 0.58
CISD1 Q9NZ45 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
EPHX2 P34913 1/20 0.46
HCAR3 P49019 1/20 0.45
PLK1 P53350 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL3585694 0.93 LIPG (0.64) LIPCLIPGKDM1AHCAR3PLK1
SCHEMBL496065 0.89 ALDH1A1 (0.51) LIPCLIPGKDM1ACISD1CA12
SCHEMBL3897166 0.84 LIPC (0.46) LIPCLIPGKDM1AEPHX2KDM4E
SCHEMBL3886168 0.83 EPHX2 (0.58) LIPCLIPGKDM1AEPHX2ALDH1A1
SCHEMBL5114074 0.81 KMT2A (0.62) LIPCLIPGKDM1AKMT2AMEN1
SCHEMBL27723944 0.80 CA1 (0.49) CA1CA2CA3CA6CA7
SCHEMBL495622 0.78 SERPINE1 (0.57) CISD1CA12CA1CA2CA3
SCHEMBL27969331 0.78 ALDH1A1 (0.51) LIPCLIPGALDH1A1KMT2AKDM4E
SCHEMBL3734919 0.77 LIPC (0.59) LIPCLIPGKDM1AEPHX2PLK1
SCHEMBL7181978 0.77 MAPT (0.54) EPHX2ALDH1A1KMT2AMEN1KDM4E

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
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
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 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 (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 LIPC 4629/4885LIPG 3997/4885KDM1A 3293/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 LIPC 4591/4885LIPG 4019/4885KDM1A 2763/4885

“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.