SCHEMBL17433442

SCHEMBL17433442

COc1ccc(/C=C/c2cc3ccc(Br)cc3[nH]2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.48
▸ TUBB P07437 2/20 0.48
▸ TUBA3C P0DPH7 2/20 0.48
▸ TUBA1B P68363 2/20 0.48
▸ TUBA4A P68366 2/20 0.48
▸ TUBB4B P68371 2/20 0.48
▸ TUBB3 Q13509 2/20 0.48
▸ TUBB2A Q13885 2/20 0.48
▸ TUBB8 Q3ZCM7 2/20 0.48
▸ TUBA3E Q6PEY2 2/20 0.48
▸ TUBA1A Q71U36 2/20 0.48
▸ TUBA1C Q9BQE3 2/20 0.48
▸ TUBB6 Q9BUF5 2/20 0.48
▸ TUBB2B Q9BVA1 2/20 0.48
▸ TUBB1 Q9H4B7 2/20 0.48
▸ PRMT1 Q99873 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL19181933 1.00 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19179921 0.83 PRMT1 (0.41) PRMT1MEN1RAB9AKMT2AGPR183
SCHEMBL17433478 0.83 PRMT1 (0.41) PRMT1MEN1RAB9AKMT2AGPR183
SCHEMBL17422828 0.81 PRMT1 (0.41) PRMT1NPC1RAB9ANOS1METAP2
SCHEMBL17422829 0.81 PRMT1 (0.41) PRMT1NPC1RAB9ANOS1METAP2
SCHEMBL17422755 0.79 PRMT1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17422756 0.79 PRMT1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17433388 0.78 AHR (0.45) PRMT1NOS1METAP2DYRK1A
SCHEMBL17433439 0.76 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19182162 0.76 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — WO 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 TUBB4A 3248/4885TUBB 1915/4885TUBA3C 3484/4885

“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.

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