SCHEMBL26192840

SCHEMBL26192840

Cn1ccc(-c2cc(Br)ccc2[N+](=O)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL26192853 0.83 S100A4 (0.38) S100A4TRPV1LMNACYP1A2CYP2C19
SCHEMBL26192849 0.81 S100A4 (0.34) S100A4TRPV1LMNACYP1A2CYP2C19
SCHEMBL26192925 0.79 HPRT1 (0.43) LMNANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6366701 0.78 ALDH1A1 (0.49) S100A4GABRA1GABRG2GABRB3GABRA5
SCHEMBL29976453 0.78 ALDH1A1 (0.49) S100A4GABRA1GABRG2GABRB3GABRA5
SCHEMBL26192910 0.78 SCN4A (0.46) LMNAALDH1A1KMT2ATDP1HTR7
SCHEMBL26205134 0.77 S100A4 (0.56) S100A4TRPV1CYP1A2GABRA1GABRG2
SCHEMBL26192842 0.77 HDAC3 (0.42) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL31415362 0.77 MAPT (0.46) S100A4LMNANPC1RAB9ASMN1; SMN2
SCHEMBL31009403 0.77 AR (0.50) LMNANPC1RAB9ASMN1; SMN2MAPT

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-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 — — US disclosed
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 — — US disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 — — US disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 — — 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-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 S100A4 3781/4885TRPV1 4566/4885LMNA 2104/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 S100A4 3781/4885TRPV1 4566/4885LMNA 2104/4885

“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.

Send feedback