SCHEMBL21970635

SCHEMBL21970635

COc1cccc(OC)c1C1N(c2ccccc2)c2ccccc2N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD11B1 P28845 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HCRTR1 O43613 3/20 0.38
▸ HCRTR2 O43614 3/20 0.38
▸ DRD2 P14416 2/20 0.38

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
SCHEMBL21970634 0.77 LMNA (0.59) LMNACA12CA1CA2CA4
SCHEMBL18052558 0.75 MGLL (0.41) LMNACA12CA1CA2CA4
SCHEMBL21041379 0.74 HSD11B1 (0.40) HIF1ASMN1; SMN2HSD11B1LMNACA12
SCHEMBL30056333 0.73 MEN1 (0.42) LMNACA12CA1CA2CA4
SCHEMBL28891609 0.73 MEN1 (0.42) LMNACA12CA1CA2CA4
SCHEMBL20257743 0.72 HSD11B1 (0.40) HIF1ASMN1; SMN2HSD11B1LMNACA12
Bromide SCHEMBL28412751 0.72 DRD2 (0.41) LMNACA12CA1CA2CA4
SCHEMBL30056324 0.71 SLC6A2 (0.46) LMNACA12CA1CA2CA4
SCHEMBL28415327 0.71 SLC6A2 (0.46) LMNACA12CA1CA2CA4
Bromide SCHEMBL28414889 0.70 SLC6A2 (0.44) LMNACA12CA1CA2CA4

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-11046655-B2 Compound and method for producing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 — — US disclosed
US-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-07 — — 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-20200140394-A1 NOVEL COMPOUND AND METHOD FOR PRODUCING SAME CBR3, NR2E3, NR5A2 HIF1A 3424/4885SMN1; SMN2 2695/4885HSD11B1 218/4885
US-11046655-B2 Compound and method for producing same CBR3, NR5A1, NR2E3 HIF1A 3359/4885SMN1; SMN2 2181/4885HSD11B1 189/4885

“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.

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