SCHEMBL1039984

SCHEMBL1039984

O=[N+]([O-])c1cccc(CNCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
KDM1A O60341 2/20 0.58
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP19A1 P11511 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL30482083 1.00 TSHR (0.59) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL6675948 0.87 MEN1 (0.66) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL5716402 0.85 KMT2A (0.58) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL9082348 0.85 KMT2A (0.59) MEN1MAPTKMT2APOLBALDH1A1
SCHEMBL15264813 0.85 ALDH1A1 (0.61) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL7462630 0.84 CYP2D6 (0.54) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL7462621 0.84 CYP2D6 (0.54) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL1041853 0.84 MEN1 (0.69) MEN1MAPTKMT2APOLBCYP1A2
SCHEMBL7338580 0.83 PTPRF (0.69) TSHRKDM1AMAOAMAOBMEN1
Hydrochloric Acid SCHEMBL952234 0.83 KMT2A (0.57) TSHRKDM1AMAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608817-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-03 EP disclosed
US-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2024091450-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-02 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-1480941-B1 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2011-01-26 EP disclosed
EP-1480941-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2004-12-01 EP disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
WO-2003074467-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-09-12 WO disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 US disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 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 (1 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-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 TSHR 613/4885KDM1A 650/4885MAOA 495/4885

“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.