SCHEMBL11908418

SCHEMBL11908418

NC(=O)c1cc(C(=O)c2ccccc2)ccc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 4/20 0.59
HSD17B10 Q99714 4/20 0.59
USP2 O75604 1/20 0.59
HTR6 P50406 3/20 0.56
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALOX15 P16050 4/20 0.48
HPGD P15428 3/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
HTR2C P28335 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
GFER P55789 1/20 0.46
YWHAG P61981 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL23708642 0.88 KDM4E (0.60) ALDH1A1TSHRHSD17B10NPC1SMN1; SMN2
SCHEMBL11217216 0.86 HSD17B10 (0.53) ALDH1A1TSHRHSD17B10USP2HTR6
SCHEMBL11908425 0.84 NPC1 (0.71) ALDH1A1TSHRHSD17B10USP2HTR6
SCHEMBL11907676 0.83 SMN1; SMN2 (0.50) ALDH1A1TSHRHSD17B10NPC1SMN1; SMN2
SCHEMBL3407551 0.79 HTR6 (0.66) ALDH1A1TSHRHSD17B10USP2HTR6
SCHEMBL1450313 0.78 NPC1 (0.70) ALDH1A1TSHRHSD17B10HTR6NPC1
SCHEMBL6630880 0.78 LTA4H (0.54) HSD17B10HTR6NPC1ALOX15MAPT
SCHEMBL2869405 0.77 HTR6 (0.61) ALDH1A1TSHRHSD17B10USP2HTR6
Hydrochloric Acid SCHEMBL27658727 0.77 NPC1 (0.68) ALDH1A1TSHRHSD17B10HTR6NPC1
SCHEMBL11907000 0.77 GAA (0.50) ALDH1A1TSHRHSD17B10NPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 2176/4885TSHR 2328/4885HSD17B10 4209/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 2176/4885TSHR 2328/4885HSD17B10 4209/4885

“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.