Hexadecane

Hexadecane

SCHEMBL15923401

CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCNc1ccncc1[N+](=O)[O-].N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.53
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KDM6B O15054 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KAT2B Q92831 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PRSS1 P07477 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL15923402 0.99 HCAR3 (0.54) HCAR3POLBTP53MAPTPKM
SCHEMBL17819093 0.97 HCAR3 (0.55) HCAR3POLBTP53MAPTPKM
SCHEMBL14031480 0.93 MAPT (0.54) HCAR3POLBTP53MAPTPKM
Hexadecylamine SCHEMBL15923400 0.92 KAT2B (0.51) HCAR3POLBTP53MAPTPKM
SCHEMBL15924089 0.91 HCAR3 (0.51) HCAR3POLBTP53MAPTPKM
SCHEMBL15923083 0.89 KMT2A (0.49) HCAR3POLBTP53MAPTPKM
SCHEMBL3050461 0.87 ALDH1A1 (0.54) HCAR3POLBTP53MAPTPKM
SCHEMBL8597587 0.86 HCAR3 (0.52) HCAR3POLBTP53MAPTPKM
SCHEMBL10388574 0.83 GSTM2 (0.54) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL10388580 0.83 KAT2B (0.58) MAPTMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2021-06-03 US disclosed
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity WELLSTAT THERAPEUTICS CORPORATION (US) 2021-03-02 US disclosed
EP-3632426-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY Wellstat Therapeutics Corporation (US) 2020-04-08 EP disclosed
EP-2950649-B1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY WELLSTAT THERAPEUTICS CORP (US) 2020-03-04 EP disclosed
US-20190194193-A1 AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2019-06-27 US disclosed
US-20180298000-A1 AMINOQUINOLINE COMPOUNDS HAVING ANTICANCER ACTIVITY PHARMA CINQ, LLC 2018-10-18 US disclosed
US-20150361077-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2015-12-17 US disclosed
EP-2950649-A2 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY Wellstat Therapeutics Corporation (US) 2015-12-09 EP disclosed
WO-2014120995-A2 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY WELLSTAT THERAPEUTICS CORPORATION (US) 2014-08-07 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-20210163476-A1 IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY NOD1, NLRP3, AADAC HCAR3 1593/4885POLB 1625/4885TP53 399/4885
US-20180298000-A1 AMINOQUINOLINE COMPOUNDS HAVING ANTICANCER ACTIVITY MYC, AAAS, ASNS HCAR3 1379/4885POLB 1222/4885TP53 52/4885
US-20190194193-A1 AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AAAS, AADAC, NFKBIA HCAR3 1224/4885POLB 1651/4885TP53 441/4885
US-20150361077-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AADAC, CASP1, AAAS HCAR3 793/4885POLB 1080/4885TP53 555/4885
US-10934284-B2 Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity AAAS, AADAC, NFKBIA HCAR3 1224/4885POLB 1651/4885TP53 441/4885

“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.