SCHEMBL17822004

SCHEMBL17822004

COc1ccc(C=CBr)cc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 11/20 0.69
NFE2L2 Q16236 2/20 0.51
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1B1 Q16678 2/20 0.49
PTGS1 P23219 1/20 0.47
APP P05067 1/20 0.46
NQO2 P16083 1/20 0.45
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL17822001 1.00 TUBB1 (0.69) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL28111934 0.84 TUBB1 (0.72) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL13972632 0.83 TUBB1 (0.71) TUBB1NFE2L2PTGS1ALDH1A1MAPT
SCHEMBL14104820 0.83 TUBB1 (0.77) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL28019032 0.82 CYP1A1 (0.69) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL19754978 0.82 CYP1A1 (0.69) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL7479066 0.81 TUBB1 (0.69) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL7479058 0.81 TUBB1 (0.69) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL19559417 0.81 TUBB1 (0.69) TUBB1NFE2L2PTGS1APPCYP19A1
SCHEMBL24434523 0.80 TUBB1 (0.67) TUBB1NFE2L2CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 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 (4 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT TUBB1 2156/4885NFE2L2 478/4885CYP1A1 2648/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT TUBB1 2156/4885NFE2L2 478/4885CYP1A1 2648/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 TUBB1 2679/4885NFE2L2 2973/4885CYP1A1 3605/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT TUBB1 2156/4885NFE2L2 478/4885CYP1A1 2648/4885

“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.