SCHEMBL695556

SCHEMBL695556

Cc1cc([N+](=O)[O-])ccc1CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
CYP3A4 P08684 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 4/20 0.60
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CRHBP P24387 3/20 0.45
CRHR2 Q13324 3/20 0.45
ACHE P22303 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL30933154 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL16975488 0.86 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL694999 0.85 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL30780892 0.85 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL11188405 0.85 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL10139118 0.85 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL260864 0.82 CYP1A2 (0.47) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL29368452 0.82 CYP1A2 (0.47) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL18402915 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL8110785 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711366-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF Mindrank AI Ltd. (CN) 2026-03-18 EP disclosed
EP-4334298-B1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS INC (US) 2026-02-18 EP disclosed
US-20250250259-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. 2025-08-07 US disclosed
US-12312341-B2 Methods for treating cancer SCORPION THERAPEUTICS, INC. (US) 2025-05-27 US disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240400543-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. 2024-12-05 US disclosed
WO-2024230807-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-11-14 WO disclosed
US-20240300939-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. 2024-09-12 US disclosed
US-12084434-B2 Methods for treating cancer SCORPION THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
US-20240158376-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. 2024-05-16 US disclosed
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5696145-A VASOPRESSIN AND OXYTOCIN RECEPTOR SANOFI (FR) 1997-12-09 US disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5618833-A USEFUL FOR TREATING OR PREVENTING VASOPRESSIN OR OXYTOCIN DEPENDANT COMPLAINTS SANOFI (FR) 1997-04-08 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed
EP-0636609-A1 1-Benzyl-1,3-dihydro-indol-2-one derivatives, their preparation, the pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 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 (6 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-20240300939-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER PIK3CA, PIK3CG, PIK3CD ALDH1A1 1105/4885CYP3A4 1810/4885TDP1 1266/4885
US-20240158376-A1 METHODS FOR TREATING CANCER PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP3A4 3987/4885TDP1 1257/4885
US-12312341-B2 Methods for treating cancer PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP3A4 3987/4885TDP1 1257/4885
US-20250250259-A1 METHODS FOR TREATING CANCER PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP3A4 3987/4885TDP1 1257/4885
US-20240400543-A1 METHODS FOR TREATING CANCER PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP3A4 3987/4885TDP1 1257/4885
US-12084434-B2 Methods for treating cancer PIK3CA, PTEN, BRCA1 ALDH1A1 1084/4885CYP3A4 3987/4885TDP1 1257/4885

“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.