SCHEMBL21045489

SCHEMBL21045489

Oc1ccc2oc(CCc3ccc(-c4ccccc4F)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRK6 P43250 1/20 0.48
ESR1 P03372 6/20 0.45
ESR2 Q92731 6/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL29411375 1.00 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL29411407 0.75 CA1 (0.48) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL21045298 0.75 CA1 (0.48) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL9115528 0.74 ESR1 (0.65) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL21045237 0.69 SMN1; SMN2 (0.46) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL29411449 0.69 SMN1; SMN2 (0.46) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL5641287 0.69 TP53 (0.56) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL21815183 0.67 KMT2A (0.68) NPC1RAB9AESR1ESR2MEN1
SCHEMBL9747673 0.67 ESR1 (0.47) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL18559001 0.67 TDP1 (0.52) MAPTSMN1; SMN2CYP3A4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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 (3 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885MAPT 24/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885MAPT 24/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885MAPT 24/4885

“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.