SCHEMBL21045375

SCHEMBL21045375

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CDK4 P11802 5/20 0.56
CCND1 P24385 5/20 0.56
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PTGS2 P35354 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
IGF1R P08069 1/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47

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
SCHEMBL29411393 1.00 POLB (0.56) POLBCDK4CCND1HDAC1HDAC2
SCHEMBL29411453 0.88 NAMPT (0.52) POLBCDK4CCND1HDAC1HDAC2
SCHEMBL21045533 0.88 NAMPT (0.52) POLBCDK4CCND1HDAC1HDAC2
SCHEMBL17117417 0.84 POLB (0.77) POLBHDAC1HDAC2HDAC3HDAC4
SCHEMBL21045195 0.80 RAB9A (0.66) HDAC1HDAC3RAB9ANPC1MEN1
SCHEMBL29411542 0.80 RAB9A (0.66) HDAC1HDAC3RAB9ANPC1MEN1
SCHEMBL21045582 0.80 CDK4 (0.43) CDK4CCND1RAB9ANPC1MEN1
SCHEMBL29411456 0.80 CDK4 (0.43) CDK4CCND1RAB9ANPC1MEN1
SCHEMBL21045397 0.79 LMNA (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29411545 0.79 LMNA (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7

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 POLB 350/4885CDK4 482/4885CCND1 3057/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB POLB 350/4885CDK4 482/4885CCND1 3057/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB POLB 350/4885CDK4 482/4885CCND1 3057/4885

“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.