SCHEMBL19182162

SCHEMBL19182162

COc1ccc(C=Cc2cc3ccc(Br)cc3[nH]2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45
▸ TUBB2B Q9BVA1 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.45
▸ FLT3 P36888 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDK4 P11802 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
SCHEMBL17433439 1.00 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19179899 0.85 NOS1 (0.41) SMN1; SMN2PRMT1NOS1METAP2DYRK1A
SCHEMBL17433391 0.85 NOS1 (0.41) SMN1; SMN2PRMT1NOS1METAP2DYRK1A
SCHEMBL19179902 0.80 PRMT1 (0.37) PRMT1NOS1METAP2DYRK1ANPC1
SCHEMBL17433440 0.80 PRMT1 (0.37) PRMT1NOS1METAP2DYRK1ANPC1
SCHEMBL17433448 0.79 PRMT1 (0.39) SMN1; SMN2PRMT1NOS1METAP2DYRK1A
SCHEMBL19182161 0.79 PRMT1 (0.39) SMN1; SMN2PRMT1NOS1METAP2DYRK1A
SCHEMBL17433388 0.78 AHR (0.45) MAPTNPSR1PRMT1NOS1METAP2
SCHEMBL17433449 0.76 PRMT1 (0.36) PRMT1NOS1METAP2DYRK1A
SCHEMBL19180057 0.76 PRMT1 (0.36) PRMT1NOS1METAP2DYRK1A

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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 TUBB4A 3028/4885TUBB 1541/4885TUBA3C 2529/4885
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.

Send feedback