SCHEMBL13302210

SCHEMBL13302210

COc1ccc2[nH]cc(I)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.62
▸ HTR2B P41595 5/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTR2A P28223 6/20 0.55
▸ HTR2C P28335 5/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HTR1A P08908 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ HTR1D P28221 2/20 0.55
▸ HTR1B P28222 2/20 0.55
▸ HTR7 P34969 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ HTR4 Q13639 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.55
▸ NR4A2 P43354 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.55

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
SCHEMBL31357856 1.00 GPR84 (0.62) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL29162323 0.85 MAPT (0.58) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL5432612 0.81 GPR84 (0.66) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL29055657 0.81 MEN1 (0.51) GPR84ALDH1A1MAPTHTR1ATSHR
SCHEMBL28337310 0.79 GPR84 (0.64) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL3629976 0.79 HTR2B (0.65) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL736956 0.79 GPR84 (0.64) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL434877 0.79 GPR84 (0.64) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL13302270 0.79 GPR84 (0.58) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL17452855 0.78 GPR84 (0.62) GPR84HTR2BCYP1A2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184567-B Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2025-02-18 — — CN disclosed
CN-118184567-A Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2024-06-14 — — CN disclosed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 — — US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 — — US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 — — US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 — — 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 (3 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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 GPR84 3212/4885HTR2B 3242/4885CYP1A2 3687/4885
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP GPR84 3868/4885HTR2B 1154/4885CYP1A2 4479/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 GPR84 2869/4885HTR2B 3252/4885CYP1A2 2793/4885

“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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