SCHEMBL6448588

SCHEMBL6448588

Cc1cc([N+](=O)[O-])ccc1-n1cncn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL31285140 0.88 TSHR (0.49) ALDH1A1TDP1TSHRPOLBCYP3A4
SCHEMBL6446115 0.82 HSD17B10 (0.49) ALDH1A1MAPK1SMN1; SMN2KMT2AMAPT
SCHEMBL7933915 0.82 GPR35 (0.46) ALDH1A1TDP1TSHRPOLBMAPK1
SCHEMBL2659793 0.82 CYP1A2 (0.51) ALDH1A1POLBCYP3A4KMT2AMAPT
SCHEMBL6179703 0.82 LMNA (0.51) ALDH1A1TDP1POLBCYP3A4MAPK1
SCHEMBL20085599 0.80 KDM4E (0.50) ALDH1A1TDP1TSHRPOLBNPC1
SCHEMBL31261399 0.79 ALDH1A1 (0.54) ALDH1A1TDP1POLBCYP3A4SMN1; SMN2
SCHEMBL12306339 0.79 MAPT (0.42) ALDH1A1POLBKMT2AMAPT
SCHEMBL3156146 0.79 LMNA (0.57) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL18146104 0.79 ALDH1A1 (0.54) ALDH1A1TDP1POLBCYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 EP disclosed
CN-107922315-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2021-03-26 CN disclosed
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 EP disclosed
CN-107922315-A CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2018-04-17 CN disclosed
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US 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-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 ALDH1A1 212/4885TDP1 855/4885TSHR 651/4885

“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.