SCHEMBL16072986

SCHEMBL16072986

C=Cc1cc(OC)ncc1OCc1cccnc1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.43
KCNN4 O15554 1/20 0.41
PDE4B Q07343 7/20 0.36
PDE4D Q08499 2/20 0.36
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
RORB Q92753 1/20 0.34
GABRA5 P31644 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGER1 P34995 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL16047047 0.90 KCNA5 (0.43) KCNA5KCNN4PDE4BPDE4DKDR
SCHEMBL16072984 0.90 SYK (0.34) KCNA5KCNN4GABRA5USP2CYP1A2
SCHEMBL16072974 0.85 KDM4E (0.41) KCNA5
SCHEMBL16072973 0.83 DPP4 (0.44) KCNA5USP2CYP1A2CYP3A4CYP2D6
SCHEMBL16047048 0.80 ERN1 (0.37) GABRA5USP2CYP1A2CYP3A4CYP2C9
SCHEMBL16047371 0.79 KCNA5 (0.48) KCNA5PDE4BPDE4DCYP1A2CYP3A4
SCHEMBL30078075 0.78 ERN1 (0.39) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15065123 0.78 ERN1 (0.39) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30078027 0.76 ERN1 (0.45) KCNA5KCNN4USP2CYP1A2CYP3A4
SCHEMBL15064978 0.76 ERN1 (0.45) KCNA5KCNN4USP2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9422279-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-08-23 US disclosed
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB KCNA5 4721/4885KCNN4 3423/4885PDE4B 2556/4885
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB KCNA5 4721/4885KCNN4 3423/4885PDE4B 2556/4885

“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.