SCHEMBL16230892

SCHEMBL16230892

O=C(NCCN1CCC2(CC1)CC2)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
EPHX1 P07099 1/20 0.40
DRD2 P14416 4/20 0.39
OPRD1 P41143 1/20 0.39
DRD3 P35462 1/20 0.39
CA1 P00915 2/20 0.38

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
SCHEMBL5566464 0.82 CA12 (0.54) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11202955 0.81 POLB (0.48) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3750650 0.79 LMNA (0.58) ALDH1A1CA12CA2CA9CA1
SCHEMBL10882977 0.79 HSD17B10 (0.54) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11199119 0.77 CA3 (0.47) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16231598 0.76 DRD2 (0.60) MEN1KMT2AEPHX1DRD2CACNA1H
SCHEMBL31011765 0.72 NPC1 (0.44) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL4700419 0.72 ALDH1A1 (0.62) POLBALDH1A1SMN1; SMN2MEN1KMT2A
Spirgetine SCHEMBL29387726 0.71 ITGB3 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ACA12
SCHEMBL10883755 0.71 CACNA1H (0.40) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 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 (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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 POLB 2133/4885ALDH1A1 1613/4885SMN1; SMN2 3977/4885

“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.