SCHEMBL508668

SCHEMBL508668

Cc1n[nH]c(CC(=O)N2CCCCC2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.42
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL5619683 0.84 ROCK1 (0.41) RAB9AKMT2AMEN1
SCHEMBL6630547 0.83 HPGD (0.48) HPGDALDH1A1TSHRNPC1SMN1; SMN2
SCHEMBL4769896 0.82 RAB9A (0.47) HPGDALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL10254128 0.81 P2RX7 (0.41) ALDH1A1MAPT
SCHEMBL508731 0.81 P2RX7 (0.41) MAPT
SCHEMBL4773462 0.78 LMNA (0.39) HPGDALDH1A1LMNARAB9AMAPT
SCHEMBL5225036 0.78 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL14599716 0.76 KCNH2 (0.40) MAPT
SCHEMBL5226665 0.73 ALDH1A1 (0.44) ALDH1A1TSHRNPC1SMN1; SMN2RAB9A
SCHEMBL5226597 0.73 KCNH2 (0.38) ALDH1A1NPC1RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 HPGD 1315/4885ALDH1A1 1080/4885TSHR 2158/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 HPGD 1325/4885ALDH1A1 997/4885TSHR 2613/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD HPGD 732/4885ALDH1A1 886/4885TSHR 3856/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 HPGD 844/4885ALDH1A1 385/4885TSHR 4085/4885

“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.