SCHEMBL22926257

SCHEMBL22926257

CCCC(C)(C)c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.54
▸ DDAH1 O94760 1/20 0.50
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ BCHE P06276 1/20 0.45
▸ TRPC3 Q13507 1/20 0.45
▸ TRPC4 Q9UBN4 1/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TXN P10599 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14361622 0.90 NPSR1 (0.51) NPSR1DDAH1NPC1RAB9ABCHE
SCHEMBL14361831 0.88 NPSR1 (0.49) NPSR1DDAH1NPC1RAB9ABCHE
SCHEMBL14361607 0.87 NPSR1 (0.54) NPSR1DDAH1NPC1RAB9ABCHE
SCHEMBL13073559 0.86 NPSR1 (0.58) NPSR1DDAH1NPC1RAB9ABCHE
SCHEMBL20476291 0.85 NPSR1 (0.53) NPSR1DDAH1NPC1RAB9ACYP1A2
SCHEMBL22016725 0.81 NPSR1 (0.56) NPSR1DDAH1NPC1RAB9ABCHE
SCHEMBL22017306 0.80 NPSR1 (0.44) NPSR1DDAH1NPC1RAB9ABCHE
SCHEMBL229852 0.80 NPSR1 (0.68) NPSR1DDAH1NPC1RAB9ACYP1A2
SCHEMBL23452588 0.80 KDM4C (0.38) NPSR1KDM4ESMN1; SMN2
SCHEMBL27484748 0.80 NPSR1 (0.50) NPSR1DDAH1NPC1RAB9ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 — — US disclosed
US-20220273634-A1 Ferroportin-Inhibitors For The Use In The Treatment Of Transfusion-Dependent Beta-Thalassemia (TDT) VIFOR (INTERNATIONAL) AG (CH) 2022-09-01 — — US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 — — US disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 — — EP 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-20220273634-A1 Ferroportin-Inhibitors For The Use In The Treatment Of Transfusion-Dependent Beta-Thalassemia (TDT) SLC40A1, FECH, TFRC NPSR1 4585/4885DDAH1 1052/4885NPC1 1163/4885
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 NPSR1 4847/4885DDAH1 2760/4885NPC1 3220/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 NPSR1 4847/4885DDAH1 2760/4885NPC1 3220/4885

“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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