SCHEMBL7681397

SCHEMBL7681397

C=CC(C)Nc1nc(NCCCC)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RIPK1 Q13546 4/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
PIN1 Q13526 7/20 0.46
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.39
CASP6 P55212 1/20 0.39
TRIM58 Q8NG06 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.38
EIF4A1 P60842 1/20 0.38
F2RL1 P55085 1/20 0.38

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
SCHEMBL7687941 0.87 ABCG2 (0.44) PIN1ALDH1A1POLBEGFR
SCHEMBL7687341 0.87 SMN1; SMN2 (0.45) HPGDSMN1; SMN2RIPK1PIN1ALDH1A1
Hydrochloric Acid SCHEMBL7683968 0.84 SMN1; SMN2 (0.53) HPGDSMN1; SMN2RIPK1CCNT1CDK9
SCHEMBL7678880 0.82 PIN1 (0.52) HPGDSMN1; SMN2RIPK1CCNT1CDK9
SCHEMBL7681050 0.81 PIN1 (0.44) HPGDSMN1; SMN2RIPK1PIN1ALDH1A1
Hydrochloric Acid SCHEMBL7681349 0.81 SMN1; SMN2 (0.52) HPGDSMN1; SMN2RIPK1CCNT1CDK9
SCHEMBL7687388 0.81 SMN1; SMN2 (0.52) HPGDSMN1; SMN2RIPK1CCNT1CDK9
SCHEMBL7682129 0.81 SMN1; SMN2 (0.52) HPGDSMN1; SMN2RIPK1CCNT1CDK9
SCHEMBL7681038 0.81 HPGD (0.54) HPGDSMN1; SMN2RIPK1CCNT1CDK9
SCHEMBL7681321 0.80 KMT2A (0.50) PIN1ALDH1A1ACHEEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT HPGD 419/4885SMN1; SMN2 2359/4885RIPK1 4082/4885

“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.