SCHEMBL22263183

SCHEMBL22263183

c1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccccc4)CN3)NC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GAA P10253 3/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL20920797 0.90 ALDH1A1 (0.44) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL22275639 0.90 ALDH1A1 (0.49) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL20917919 0.90 ALDH1A1 (0.44) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL20932777 0.90 TAAR1 (0.45) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL22263121 0.89 ALDH1A1 (0.48) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL22275730 0.89 ALDH1A1 (0.51) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL22263137 0.88 MAPK1 (0.50) ALDH1A1CYP2C19GAATSHRNPC1
SCHEMBL22262956 0.87 ALDH1A1 (0.41) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL20932763 0.87 MAPT (0.41) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2
SCHEMBL31396352 0.87 ALDH1A1 (0.41) ALDH1A1CYP2C19GAATAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092020-A1 IDO/TDO Inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-03-20 — — US disclosed
US-12209079-B2 IDO/TDO inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-01-28 — — US disclosed
US-20220380305-A1 IDO/TDO Inhibitor CANBAS CO., LTD. 2022-12-01 — — US disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — 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 (4 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-12209079-B2 IDO/TDO inhibitor IDO1, IDO2, TDO2 ALDH1A1 3331/4885CYP2C19 573/4885GAA 3551/4885
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 ALDH1A1 3331/4885CYP2C19 573/4885GAA 3551/4885
US-20250092020-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 ALDH1A1 3331/4885CYP2C19 573/4885GAA 3551/4885
US-20220380305-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 ALDH1A1 3591/4885CYP2C19 590/4885GAA 3689/4885

“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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