SCHEMBL6786544

SCHEMBL6786544

O=[N+]([O-])c1cc(Br)c2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.43
NQO2 P16083 1/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 1/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESPL1 Q14674 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.36
NOS1 P29475 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL14159972 0.81 LMNA (0.48) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL6896287 0.79 CYP3A4 (0.43) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL10179371 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL17067755 0.79 TSHR (0.38) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL3298360 0.79 TSHR (0.47) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL312407 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL2115890 0.77 CA12 (0.49) ALDH1A1GLACYP3A4NQO2MEN1
SCHEMBL18746334 0.76 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL15712187 0.76 MAPT (0.39) ALDH1A1CYP3A4MEN1KMT2ATSHR
SCHEMBL6787763 0.76 XDH (0.49) ALDH1A1MEN1KMT2ATSHRCYP19A1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263399-A1 CBL-B MODULATORS AND USES THEREOF SCHRÖDINGER, INC. 2025-08-21 US disclosed
EP-4568971-A1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTOR SUBTYPE 2B Vanderbilt University (US) 2025-06-18 EP disclosed
US-12325697-B2 CBL-B modulators and uses thereof NIMBUS CLIO, INC. (US) 2025-06-10 US disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
US-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 US disclosed
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 WO disclosed
WO-2024036183-A1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTOR SUBTYPE 2B VANDERBILT UNIVERSITY (US) 2024-02-15 WO disclosed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 EP disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-20020049239-A1 Novel indole and benzothiazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-04-25 US disclosed
US-6303643-B1 THERAPY OF MIGRAINE HEADACHE, HYPERTENSION, ALCOHOL WITHDRAWAL, DRUG ADDICTION, RHEUMATOID ARTHRITIS, PRESBYOPIA, ISCHEMIC PAIN, SPASTICITY, DIARRHEA, NASAL CONGESTION, AND URINARY INCONTINENCE BY ADMINISTERING BENZOTHIAZOLE DERIVATIVE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-16 US disclosed
EP-0900080-A4 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 2000-12-13 EP disclosed
US-6159998-A Substituted indoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
US-6040451-A USED AS ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-21 US disclosed
US-5948804-A ANAESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-09-07 US disclosed
US-5929094-A NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA MERCK & CO., INC. (US) 1999-07-27 US disclosed
EP-0900080-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-03-10 EP disclosed
US-5677321-A ANESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-10-14 US disclosed
WO-1997031636-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-09-04 WO 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 (5 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-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 ALDH1A1 1836/4885GLA 3343/4885CYP3A4 3647/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885GLA 3582/4885CYP3A4 4659/4885
US-20250263399-A1 CBL-B MODULATORS AND USES THEREOF CBLB, CBL, CBLC ALDH1A1 4641/4885GLA 3277/4885CYP3A4 4648/4885
US-20020049239-A1 Novel indole and benzothiazole derivatives ADRB2, ADRB1, CNR2 ALDH1A1 456/4885GLA 4381/4885CYP3A4 506/4885
US-12325697-B2 CBL-B modulators and uses thereof CBLB, CBL, CBLC ALDH1A1 4641/4885GLA 3277/4885CYP3A4 4648/4885

“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.