SCHEMBL22197813

SCHEMBL22197813

Cc1cc(I)c(N)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
NOS2 P35228 4/20 0.36
NOS3 P29474 3/20 0.36
NOS1 P29475 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CA3 P07451 1/20 0.32
ACHE P22303 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
SCHEMBL6624352 0.86 KDM4E (0.45) ALDH1A1TSHRCA1CA2CA9
SCHEMBL24629872 0.82 CA1 (0.50) ALDH1A1TSHRCA1CA2CA9
SCHEMBL404738 0.82 CA1 (0.48) ALDH1A1TSHRCA1CA2CA9
SCHEMBL20670572 0.82 CA1 (0.48) ALDH1A1TSHRCA1CA2CA9
SCHEMBL22450147 0.78 ALDH1A1 (0.35) ALDH1A1TSHRCA1CA2CA9
SCHEMBL31145750 0.78 NOS3 (0.36) ALDH1A1TSHRCA1CA2CA9
SCHEMBL20670581 0.78 XDH (0.53) ALDH1A1TSHRCA1CA2CA9
SCHEMBL12528368 0.75 KDM4E (0.66) KDM4ETDP1LMNA
SCHEMBL20220905 0.75 ALDH1A1 (0.41) ALDH1A1TSHRCA1KDM4ETDP1
SCHEMBL3012755 0.73 GPR35 (0.52) ALDH1A1TSHRKDM4ETDP1CYP3A4

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
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
US-11535637-B2 Compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2022-12-27 US disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2021129724-A1 ARYLAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed
US-20200216475-A1 COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-09 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT ALDH1A1 188/4885TSHR 2338/4885CA1 3932/4885
US-11535637-B2 Compound and organic light emitting element comprising same NR2E3, NR4A2, NR2C2 ALDH1A1 1206/4885TSHR 1677/4885CA1 1232/4885
US-20200216475-A1 COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR4A2, NR4A1 ALDH1A1 1241/4885TSHR 603/4885CA1 1495/4885

“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.