Sugi Predict

Sugi Predict / Compounds / SCHEMBL29953934

SCHEMBL29953934

SCHEMBL29953934

CC(C)(C#N)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ VCAM1 P19320 4/20 0.46
▸ LMNA P02545 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL27452392 1.00 ALDH1A1 (0.49) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL29739450 0.82 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL2646002 0.82 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL9913609 0.81 TSHR (0.51) ALDH1A1VCAM1LMNAMAPTGPR35
SCHEMBL9670920 0.81 ALDH1A1 (0.44) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL2815785 0.81 MAPT (0.47) ALDH1A1VCAM1LMNAMAPTGPR35
SCHEMBL29739317 0.80 ALDH1A1 (0.55) ALDH1A1HIF1AVCAM1LMNAMAPT
SCHEMBL31347554 0.79 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHTTTDP1
SCHEMBL29406501 0.79 ALDH1A1 (0.42) ALDH1A1VCAM1MAPTHTTGPR35
SCHEMBL30733364 0.78 CYP19A1 (0.38) ALDH1A1VCAM1HTTGPR35CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 — — US disclosed
CN-119591621-A Novel ecteinascidin derivatives, preparation method and application thereof, antibody drug conjugate and application thereof 泰诚思(上海)生物医药有限公司 2025-03-11 — — CN disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 — — 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 (2 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G ALDH1A1 1696/4885HIF1A 239/4885VCAM1 1035/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A ALDH1A1 1043/4885HIF1A 468/4885VCAM1 2028/4885

“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.