SCHEMBL21118917

SCHEMBL21118917

Cc1ncccc1C(=O)NCCCc1ccc(-c2cnc3[nH]ncc3c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
P2RX7 Q99572 1/20 0.40
KIT P10721 2/20 0.39
PDGFRA P16234 2/20 0.39
KDR P35968 2/20 0.39
CNR1 P21554 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PPARG P37231 1/20 0.38
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL21045413 0.88 PDK1 (0.43) HPGDSMN1; SMN2P2RX7KITPDGFRA
SCHEMBL21045196 0.80 ROCK2 (0.49) HPGDSMN1; SMN2P2RX7CNR1ROCK2
SCHEMBL29411659 0.80 ROCK2 (0.49) HPGDSMN1; SMN2P2RX7CNR1ROCK2
SCHEMBL21045121 0.79 SMN1; SMN2 (0.43) HPGDSMN1; SMN2P2RX7CNR1ROCK2
SCHEMBL29411490 0.77 SMN1; SMN2 (0.49) HPGDSMN1; SMN2P2RX7CNR1MEN1
SCHEMBL21045225 0.77 SMN1; SMN2 (0.49) HPGDSMN1; SMN2P2RX7CNR1MEN1
SCHEMBL21045126 0.77 FLT3 (0.54)
SCHEMBL21100474 0.74 P2RX7 (0.42) HPGDSMN1; SMN2P2RX7CNR1ROCK2
SCHEMBL21045267 0.73 DHODH (0.48) HPGDSMN1; SMN2P2RX7MEN1KMT2A
SCHEMBL29411513 0.73 DHODH (0.48) HPGDSMN1; SMN2P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB HPGD 3869/4885SMN1; SMN2 1062/4885P2RX7 4844/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB HPGD 3869/4885SMN1; SMN2 1062/4885P2RX7 4844/4885

“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.