SCHEMBL18681981

SCHEMBL18681981

CCOc1ccc2c(ccn2C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.38
▸ RHEB Q15382 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32

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
SCHEMBL18054366 0.81 KDM4E (0.39) RHEBNQO2TSHRPOLBLMNA
SCHEMBL15704600 0.81 TUBB4A (0.40) P2RX7RHEBNQO2LMNAHSD11B1
SCHEMBL30637856 0.81 TUBB4A (0.40) P2RX7RHEBNQO2LMNAHSD11B1
SCHEMBL18054350 0.80 RHEB (0.43) RHEBNQO2LMNATP53L3MBTL1
SCHEMBL6229875 0.80 RHEB (0.36) RHEBNQO2LMNATP53L3MBTL1
SCHEMBL17170046 0.78 RHEB (0.37) P2RX7RHEBNQO2HSD11B1DHFR
SCHEMBL18054355 0.77 NOTUM (0.61) TSHRPOLBTP53L3MBTL1HPGD
SCHEMBL23397297 0.76 NOTUM (0.46) TSHRPOLBLMNAL3MBTL1HPGD
SCHEMBL18204019 0.74 P2RX7 (0.41) P2RX7RHEBPOLBLMNATP53
SCHEMBL15704606 0.74 CASP1 (0.41) TSHRPOLBLMNAL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088544-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO, INC. 2017-03-30 — — 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 (1 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-20170088544-A1 SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS GRK5, GRK3, MTMR1 P2RX7 3661/4885RHEB 751/4885NQO2 2726/4885

“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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