SCHEMBL20627752

SCHEMBL20627752

CCCOc1ccc2[nH]cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.47
QPCT Q16769 6/20 0.47
QPCTL Q9NXS2 2/20 0.47
HTR1A P08908 1/20 0.47
HTR1B P28222 1/20 0.47
HTT P42858 1/20 0.44
FGFR1 P11362 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
PDE5A O76074 1/20 0.42
DRD2 P14416 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL16516620 0.89 HTR1B (0.50) MMP12HTR1AHTR1BMAPK1
SCHEMBL29776920 0.87 MMP12 (0.65) MMP12QPCTQPCTLHTR1AHTR1B
SCHEMBL20627750 0.87 MMP12 (0.65) MMP12QPCTQPCTLHTR1AHTR1B
SCHEMBL3162533 0.86 MMP12 (0.50) MMP12HTTLMNA
SCHEMBL20627761 0.85 MMP12 (0.50) MMP12QPCTHTR1AHTR1BFGFR1
SCHEMBL8814884 0.81 KDM4E (0.49) MMP12HTR1AHTR1BFGFR1
SCHEMBL22179016 0.81 MMP12 (0.41) MMP12HTR1AHTR1BDRD2
SCHEMBL22900298 0.80 MAPT (0.48) QPCTQPCTL
SCHEMBL16516348 0.80 MMP12 (0.41) MMP12HTR1AHTR1BMAPK1DRD2
SCHEMBL17916649 0.80 MMP12 (0.41) MMP12HTR1AHTR1BMAPK1DRD2

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-11008291-B2 Methods of forming carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-05-18 US disclosed
US-20190169132-A1 Methods of Forming Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2019-06-06 US disclosed
EP-3424924-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-01-09 EP 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-11008291-B2 Methods of forming carbene-functionalized composite materials VCL, CHN2, CA3 MMP12 2908/4885QPCT 3128/4885QPCTL 3963/4885
US-20190169132-A1 Methods of Forming Carbene-Functionalized Composite Materials VCL, CHN2, CA3 MMP12 2908/4885QPCT 3128/4885QPCTL 3963/4885

“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.