SCHEMBL23293650

SCHEMBL23293650

[N-]=[N+]=NCc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.42
▸ KAT2B Q92831 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ TSHR P16473 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CYP2A13 Q16696 1/20 0.34
▸ PYCR1 P32322 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ MYC P01106 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
SCHEMBL30301878 1.00 TAAR1 (0.42) TAAR1KAT2BIDO1TSHRCYP1A2
SCHEMBL28312340 0.84 KAT2B (0.47) KAT2BMCL1MYC
SCHEMBL20096042 0.81 KAT2B (0.35) KAT2B
SCHEMBL28956417 0.79 TAAR1 (0.47) TAAR1IDO1TSHRCYP1A2CYP2D6
SCHEMBL13568961 0.77 MEN1 (0.35) KAT2BIDO1TSHRLMNAMYC
SCHEMBL31167361 0.77 KAT2B (0.33) KAT2B
SCHEMBL31167358 0.76 PYCR1 (0.37) KAT2BPYCR1MCL1
SCHEMBL17399958 0.75 KAT2B (0.41) KAT2BTSHRMCL1
SCHEMBL19743373 0.75 KAT2B (0.41) KAT2BTSHRMCL1
SCHEMBL21594374 0.75 HSPA5 (0.48) TAAR1KAT2BIDO1TSHRCYP2D6

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-12234220-B2 Immunomodulatory compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-02-25 — — US disclosed
EP-4358948-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-05-01 — — EP disclosed
US-20230053649-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-02-23 — — US disclosed
WO-2022272036-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 — — WO disclosed
US-20210284624-A1 IMMUNOMODULATORY COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-16 — — US disclosed
EP-3814330-A1 IMMUNOMODULATORY COMPOUNDS Dana-Farber Cancer Institute, Inc. (US) 2021-05-05 — — 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-20210284624-A1 IMMUNOMODULATORY COMPOUNDS CRBN, CD47, CD58 TAAR1 4451/4885KAT2B 3643/4885IDO1 219/4885
US-12234220-B2 Immunomodulatory compounds CRBN, CD47, CD58 TAAR1 4451/4885KAT2B 3643/4885IDO1 219/4885
US-20230053649-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 TAAR1 4592/4885KAT2B 2191/4885IDO1 2661/4885

“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