SCHEMBL9211153

SCHEMBL9211153

COc1cccc(CBr)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL12806081 0.83 GABRA1 (0.64) IDO1TAAR1CA12CA1CA2
SCHEMBL31200741 0.83 GABRA1 (0.64) IDO1TAAR1CA12CA1CA2
SCHEMBL31614197 0.82 IDO1 (0.41) IDO1TAAR1CA12CA1CA2
SCHEMBL7674880 0.82 GABRA1 (0.45) IDO1TAAR1CA12CA1CA2
SCHEMBL7674886 0.82 PDE4A (0.44) IDO1TAAR1CA12CA1CA2
SCHEMBL27761667 0.82 TAAR1 (0.50) IDO1TAAR1CA12CA1CA2
SCHEMBL29377714 0.80 IDO1 (0.57) IDO1TAAR1CA12CA1CA2
SCHEMBL17804 0.80 IDO1 (0.57) IDO1TAAR1CA12CA1CA2
SCHEMBL1501174 0.79 CA1 (0.58) CA12CA1CA2CA4CA7
SCHEMBL216572 0.79 SMN1; SMN2 (0.50) CA12CA1CA2CA14MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860975-B1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS INC (US) 2023-10-18 EP disclosed
EP-3860975-B1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS INC (US) 2023-10-18 EP disclosed
CN-114874233-A chrysene derivative and application thereof 北京八亿时空液晶科技股份有限公司 2022-08-09 CN disclosed
CN-114829362-A Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatom and used as SHP2 inhibitor 成都倍特药业股份有限公司 2022-07-29 CN disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
US-11014884-B2 Modulators of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
US-20200140384-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-07 US disclosed
WO-2020072377-A1 MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-04-09 WO disclosed
EP-0652875-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1995-05-17 EP disclosed
WO-1994002478-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1994-02-03 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 (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-11014884-B2 Modulators of hemoglobin HBG1, HBG2, HBB IDO1 4083/4885TAAR1 4836/4885CA12 1341/4885
US-20200140384-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB IDO1 4083/4885TAAR1 4836/4885CA12 1341/4885

“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.